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

Systemtic Name: 2-[4-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[(4-keto-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H18N6O2S/c1-26-17(11-18(27)21-13-7-3-2-4-8-13)24-25-20(26)29-12-16-22-15-10-6-5-9-14(15)19(28)23-16/h2-10H,11-12H2,1H3,(H,21,27)(H,22,23,28)