N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)acetamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]acetamide Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1NC(=O)C)SCC2=CC=CC=C2

InChI

InChI=1S/C12H14N4OS/c1-9-13-14-12(16(9)15-10(2)17)18-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,17)