4-phenyl-5-[2-(3-phenyl-1,5-dipyridin-3-yl-6-sulfanylidene-3aH-pentalen-2-yl)propan-2-yl]-2,6-dipyridin-3-yl-3aH-pentalene-1-thione

Systemtic Name: 4-phenyl-5-[2-(3-phenyl-1,5-dipyridin-3-yl-6-sulfanylidene-3aH-pentalen-2-yl)propan-2-yl]-2,6-dipyridin-3-yl-3aH-pentalene-1-thione Openeye Name: 5-[1-methyl-1-[3-phenyl-1,5-bis(3-pyridyl)-6-thioxo-3aH-pentalen-2-yl]ethyl]-4-phenyl-2,6-bis(3-pyridyl)-3aH-pentalene-1-thione CAS Name: 4-phenyl-5-[2-[3-phenyl-1,5-bis(3-pyridinyl)-6-sulfanylidene-3aH-pentalen-2-yl]propan-2-yl]-2,6-bis(3-pyridinyl)-3aH-pentalene-1-thione IUPAC Name: 4-phenyl-5-[2-(3-phenyl-1,5-dipyridin-3-yl-6-sulfanylidene-3aH-pentalen-2-yl)propan-2-yl]-2,6-dipyridin-3-yl-3aH-pentalene-1-thione Traditional Name: 5-[1-methyl-1-[3-phenyl-1,5-bis(3-pyridyl)-6-thioxo-3aH-pentalen-2-yl]ethyl]-4-phenyl-2,6-bis(3-pyridyl)-3aH-pentalene-1-thione Formula: C51H36N4S2 MolecularWeight: 768.98834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C2C=C(C(=S)C2=C1C3=CN=CC=C3)C4=CN=CC=C4)C5=CC=CC=C5)C6=C(C7C=C(C(=S)C7=C6C8=CN=CC=C8)C9=CN=CC=C9)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C1=C(C2C=C(C(=S)C2=C1C3=CN=CC=C3)C4=CN=CC=C4)C5=CC=CC=C5)C6=C(C7C=C(C(=S)C7=C6C8=CN=CC=C8)C9=CN=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C51H36N4S2/c1-51(2,47-41(31-13-5-3-6-14-31)39-25-37(33-17-9-21-52-27-33)49(56)45(39)43(47)35-19-11-23-54-29-35)48-42(32-15-7-4-8-16-32)40-26-38(34-18-10-22-53-28-34)50(57)46(40)44(48)36-20-12-24-55-30-36/h3-30,39-40H,1-2H3