(2S)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2S)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2S)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2S)-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NNC(=O)N1CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N)SC1=NNC(=O)N1CC2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-8(10(13)17)19-12-15-14-11(18)16(12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,13,17)(H,14,18)/t8-/m0/s1