(2S)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide

Systemtic Name: (2S)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2S)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide CAS Name: (2S)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-methylpropanamide IUPAC Name: (2S)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2S)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)SC1=NNC(=O)N1C2CC2

Isomeric SMILES

C[C@@H](C(=O)N(C)CCC#N)SC1=NNC(=O)N1C2CC2

InChI

InChI=1S/C12H17N5O2S/c1-8(10(18)16(2)7-3-6-13)20-12-15-14-11(19)17(12)9-4-5-9/h8-9H,3-5,7H2,1-2H3,(H,14,19)/t8-/m0/s1