3-cyclopropyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-cyclopropyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(3,4-dimethylphenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-cyclopropyl-5-[(3,4-dimethylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazole Formula: C21H23N3S MolecularWeight: 349.49242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)C)C)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)C)C)C4CC4

InChI

InChI=1S/C21H23N3S/c1-14-4-10-19(11-5-14)24-20(18-8-9-18)22-23-21(24)25-13-17-7-6-15(2)16(3)12-17/h4-7,10-12,18H,8-9,13H2,1-3H3