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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SC)CC2=CC=CC=C2

InChI

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