2-[4-oxidanylidene-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]ethanamide Openeye Name: 2-[4-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-quinazolinyl]acetamide IUPAC Name: 2-[4-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]quinazolin-3-yl]acetamide Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C19H16N6O2S/c20-16(26)10-24-17(22-15-9-5-4-8-14(15)18(24)27)11-28-19-23-21-12-25(19)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,20,26)