4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 3-keto-4-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C18H17N5O2S/c1-23-17(13-6-5-9-19-11-13)21-22-18(23)26-12-15(24)10-16(25)20-14-7-3-2-4-8-14/h2-9,11H,10,12H2,1H3,(H,20,25)