3-methyl-5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-methyl-5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-methyl-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-methyl-5-(methylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-methyl-5-methylsulfanyl-1,2,4-triazole Traditional Name: 4-benzyl-3-methyl-5-(methylthio)-1,2,4-triazole Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC

InChI

InChI=1S/C11H13N3S/c1-9-12-13-11(15-2)14(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3