2-(3,4-dimethylphenyl)sulfanyl-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)nicotinamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)N=C5CCCN5C4=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)N=C5CCCN5C4=O)C

InChI

InChI=1S/C25H22N4O2S/c1-15-7-9-18(13-16(15)2)32-24-19(5-3-11-26-24)23(30)27-17-8-10-21-20(14-17)25(31)29-12-4-6-22(29)28-21/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,27,30)