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

Systemtic Name: 2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C18H14N6O2S MolecularWeight: 378.40776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O2S/c25-15(21-12-6-2-1-3-7-12)10-27-18-22-14-9-5-4-8-13(14)16(26)24(18)17-19-11-20-23-17/h1-9,11H,10H2,(H,21,25)(H,19,20,23)