5-methyl-3-(4-methylphenyl)-N-(3-methylsulfanylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxamide

Systemtic Name: 5-methyl-3-(4-methylphenyl)-N-(3-methylsulfanylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indole-1-carboxamide Openeye Name: 5-methyl-N-(3-methylsulfanylphenyl)-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carboxamide CAS Name: 5-methyl-3-(4-methylphenyl)-N-[3-(methylthio)phenyl]-4-oxo-1-pyridazino[4,5-b]indolecarboxamide IUPAC Name: 5-methyl-3-(4-methylphenyl)-N-(3-methylsulfanylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide Traditional Name: 4-keto-5-methyl-N-[3-(methylthio)phenyl]-3-(p-tolyl)pyridazin[4,5-b]indole-1-carboxamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NC5=CC(=CC=C5)SC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NC5=CC(=CC=C5)SC

InChI

InChI=1S/C26H22N4O2S/c1-16-11-13-18(14-12-16)30-26(32)24-22(20-9-4-5-10-21(20)29(24)2)23(28-30)25(31)27-17-7-6-8-19(15-17)33-3/h4-15H,1-3H3,(H,27,31)