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

Systemtic Name: 3-methyl-5-(2-methylprop-2-enylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-methyl-5-(2-methylallylsulfanyl)-1,2,4-triazole CAS Name: 3-methyl-5-(2-methylprop-2-enylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-methyl-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-methyl-5-(2-methylallylthio)-1,2,4-triazole Formula: C14H17N3S MolecularWeight: 259.36988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3S/c1-11(2)10-18-14-16-15-12(3)17(14)9-13-7-5-4-6-8-13/h4-8H,1,9-10H2,2-3H3