3-(4-chlorophenyl)-5-(2-imidazol-1-ylethylsulfanyl)-4-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-5-(2-imidazol-1-ylethylsulfanyl)-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-5-(2-imidazol-1-ylethylsulfanyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[2-(1-imidazolyl)ethylthio]-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-(2-imidazol-1-ylethylsulfanyl)-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-5-(2-imidazol-1-ylethylthio)-4-(p-tolyl)-1,2,4-triazole Formula: C20H18ClN5S MolecularWeight: 395.90842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCN3C=CN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCN3C=CN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN5S/c1-15-2-8-18(9-3-15)26-19(16-4-6-17(21)7-5-16)23-24-20(26)27-13-12-25-11-10-22-14-25/h2-11,14H,12-13H2,1H3