6-(3-methyl-3-phenyl-but-1-ynyl)-2-[(4-methylsulfanylphenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione

Systemtic Name: 6-(3-methyl-3-phenyl-but-1-ynyl)-2-[(4-methylsulfanylphenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione Openeye Name: 6-(3-methyl-3-phenyl-but-1-ynyl)-2-[(4-methylsulfanylphenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione CAS Name: 6-(3-methyl-3-phenylbut-1-ynyl)-2-[[4-(methylthio)phenyl]methyl]pyrrolo[3,4-c]pyridine-1,3-dione IUPAC Name: 6-(3-methyl-3-phenylbut-1-ynyl)-2-[(4-methylsulfanylphenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione Traditional Name: 6-(3-methyl-3-phenyl-but-1-ynyl)-2-[4-(methylthio)benzyl]pyrrolo[3,4-c]pyridine-1,3-quinone Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=N1)C(=O)N(C2=O)CC3=CC=C(C=C3)SC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=N1)C(=O)N(C2=O)CC3=CC=C(C=C3)SC)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S/c1-26(2,19-7-5-4-6-8-19)14-13-20-15-22-23(16-27-20)25(30)28(24(22)29)17-18-9-11-21(31-3)12-10-18/h4-12,15-16H,17H2,1-3H3