1-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one CAS Name: 1-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]acetone Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C

InChI

InChI=1S/C13H15N3OS/c1-10(17)9-18-13-15-14-11(2)16(13)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3