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

Systemtic Name: 3-(phenylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 3-benzylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 3-(phenylmethylthio)-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 3-benzylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 3-(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:

C1=CC=C(C=C1)CSCCC(=O)NC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)NC2=NC=NN2

InChI

InChI=1S/C12H14N4OS/c17-11(15-12-13-9-14-16-12)6-7-18-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,13,14,15,16,17)