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

Systemtic Name: N-(4-methoxyphenyl)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-methoxyphenyl)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-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-(4-methoxyphenyl)acetamide Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C19H16N6O3S/c1-28-13-8-6-12(7-9-13)22-16(26)10-29-19-23-15-5-3-2-4-14(15)17(27)25(19)18-20-11-21-24-18/h2-9,11H,10H2,1H3,(H,22,26)(H,20,21,24)