5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[(3-nitrophenyl)methylthio]-3-phenethyl-6-phenyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 5-[(3-nitrophenyl)methylsulfanyl]-3-phenethyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[(3-nitrobenzyl)thio]-3-phenethyl-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C26H20N4O3S3 MolecularWeight: 532.657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)SC2=S

InChI

InChI=1S/C26H20N4O3S3/c31-24-22-23(28(26(34)36-22)15-14-18-8-3-1-4-9-18)27-25(29(24)20-11-5-2-6-12-20)35-17-19-10-7-13-21(16-19)30(32)33/h1-13,16H,14-15,17H2