5-methyl-3-(4-methylphenyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)pyridazino[4,5-b]indole-1-carboxamide

Systemtic Name: 5-methyl-3-(4-methylphenyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)pyridazino[4,5-b]indole-1-carboxamide Openeye Name: 5-methyl-4-oxo-3-(p-tolyl)-N-(2-thienylmethyl)pyridazino[4,5-b]indole-1-carboxamide CAS Name: 5-methyl-3-(4-methylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)-1-pyridazino[4,5-b]indolecarboxamide IUPAC Name: 5-methyl-3-(4-methylphenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazino[4,5-b]indole-1-carboxamide Traditional Name: 4-keto-5-methyl-3-(p-tolyl)-N-(2-thenyl)pyridazin[4,5-b]indole-1-carboxamide Formula: C24H20N4O2S MolecularWeight: 428.5062

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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)NCC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)NCC5=CC=CS5

InChI

InChI=1S/C24H20N4O2S/c1-15-9-11-16(12-10-15)28-24(30)22-20(18-7-3-4-8-19(18)27(22)2)21(26-28)23(29)25-14-17-6-5-13-31-17/h3-13H,14H2,1-2H3,(H,25,29)