2-(phenylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)propanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-benzylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-(phenylmethylthio)-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-benzylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-(benzylthio)-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=NC=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C12H14N4OS/c1-9(11(17)15-12-13-8-14-16-12)18-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,13,14,15,16,17)