N-[[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[2,5-dimethyl-1-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[[2,5-dimethyl-1-(2-methyl-4-oxo-quinazolin-3-yl)pyrrol-3-yl]methyleneamino]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[2,5-dimethyl-1-(2-methyl-4-oxo-3-quinazolinyl)-3-pyrrolyl]methylideneamino]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[[1-(4-keto-2-methyl-quinazolin-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-[(4-nitrophenyl)thio]acetamide Formula: C24H22N6O4S MolecularWeight: 490.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=NNC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1N2C(=NC3=CC=CC=C3C2=O)C)C)C=NNC(=O)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O4S/c1-15-12-18(13-25-27-23(31)14-35-20-10-8-19(9-11-20)30(33)34)16(2)28(15)29-17(3)26-22-7-5-4-6-21(22)24(29)32/h4-13H,14H2,1-3H3,(H,27,31)