N,N-bis(2-cyanoethyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H19N5O2S/c1-25-20(28)17-12-15-6-2-3-7-16(15)13-18(17)24-21(25)29-14-19(27)26(10-4-8-22)11-5-9-23/h2-3,6-7,12-13H,4-5,10-11,14H2,1H3