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

Systemtic Name: 3-(phenylmethylsulfanyl)-N-(1,2,4-triazol-4-yl)propanamide Openeye Name: 3-benzylsulfanyl-N-(1,2,4-triazol-4-yl)propanamide CAS Name: 3-(phenylmethylthio)-N-(1,2,4-triazol-4-yl)propanamide IUPAC Name: 3-benzylsulfanyl-N-(1,2,4-triazol-4-yl)propanamide Traditional Name: 3-(benzylthio)-N-(1,2,4-triazol-4-yl)propionamide Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)NN2C=NN=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)NN2C=NN=C2

InChI

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