ethyl 6-methyl-4-phenyl-2-sulfanylidene-1,3-bis(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-phenyl-2-sulfanylidene-1,3-bis(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-phenyl-1,3-bis(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-phenyl-2-sulfanylidene-1,3-bis(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-phenyl-2-sulfanylidene-1,3-bis(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)-4H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-phenyl-1,3-bis(1,2,3,4-tetrahydrocarbazol-9-ylmethyl)-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C40H42N4O2S MolecularWeight: 642.85208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2)CN3C4=C(CCCC4)C5=CC=CC=C53)CN6C7=C(CCCC7)C8=CC=CC=C86)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2)CN3C4=C(CCCC4)C5=CC=CC=C53)CN6C7=C(CCCC7)C8=CC=CC=C86)C

InChI

InChI=1S/C40H42N4O2S/c1-3-46-39(45)37-27(2)41(25-42-33-21-11-7-17-29(33)30-18-8-12-22-34(30)42)40(47)44(38(37)28-15-5-4-6-16-28)26-43-35-23-13-9-19-31(35)32-20-10-14-24-36(32)43/h4-7,9,11,13,15-17,19,21,23,38H,3,8,10,12,14,18,20,22,24-26H2,1-2H3