3-[(4-methylphenyl)sulfanylmethyl]-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-isobutylsulfanyl-4-phenyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazole CAS Name: 3-[[(4-methylphenyl)thio]methyl]-5-(2-methylpropylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]-5-(2-methylpropylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(isobutylthio)-4-phenyl-5-[(p-tolylthio)methyl]-1,2,4-triazole Formula: C20H23N3S2 MolecularWeight: 369.54672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(C)C

InChI

InChI=1S/C20H23N3S2/c1-15(2)13-25-20-22-21-19(23(20)17-7-5-4-6-8-17)14-24-18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3