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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methoxy-5-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-(2-methoxy-5-methyl-phenyl)acetamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O3S/c1-12-7-8-16(29-2)15(9-12)23-17(27)10-30-20-24-14-6-4-3-5-13(14)18(28)26(20)19-21-11-22-25-19/h3-9,11H,10H2,1-2H3,(H,23,27)(H,21,22,25)