N-(3-methylphenyl)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]-N-(m-tolyl)acetamide Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C19H16N6O2S/c1-12-5-4-6-13(9-12)22-16(26)10-28-19-23-15-8-3-2-7-14(15)17(27)25(19)18-20-11-21-24-18/h2-9,11H,10H2,1H3,(H,22,26)(H,20,21,24)