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

Systemtic Name: (2R)-N-methyl-3-oxidanylidene-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: (2R)-N-methyl-3-oxo-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: (2R)-N-methyl-3-oxo-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: (2R)-N-methyl-3-oxo-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: (2R)-3-keto-N-methyl-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]butyramide Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC)SC1=NNC(=N1)C2=CN=CC=C2

Isomeric SMILES

CC(=O)[C@H](C(=O)NC)SC1=NNC(=N1)C2=CN=CC=C2

InChI

InChI=1S/C12H13N5O2S/c1-7(18)9(11(19)13-2)20-12-15-10(16-17-12)8-4-3-5-14-6-8/h3-6,9H,1-2H3,(H,13,19)(H,15,16,17)/t9-/m1/s1