5-methyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-methyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-methyl-1H-1,2,4-triazole CAS Name: 5-methyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-methyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-methyl-1H-1,2,4-triazole Formula: C10H11N3S MolecularWeight: 205.27944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C10H11N3S/c1-8-11-10(13-12-8)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)