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

Systemtic Name: N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethylphenyl)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-ethylphenyl)-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]acetamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C20H18N6O2S/c1-2-13-7-9-14(10-8-13)23-17(27)11-29-20-24-16-6-4-3-5-15(16)18(28)26(20)19-21-12-22-25-19/h3-10,12H,2,11H2,1H3,(H,23,27)(H,21,22,25)