1-(3-chloranyl-4-methyl-phenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole CAS Name: 1-(3-chloro-4-methylphenyl)-5-[4-(methylthio)phenyl]-1,2,4-triazole IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-[4-(methylthio)phenyl]-1,2,4-triazole Formula: C16H14ClN3S MolecularWeight: 315.82046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NC=N2)C3=CC=C(C=C3)SC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NC=N2)C3=CC=C(C=C3)SC)Cl

InChI

InChI=1S/C16H14ClN3S/c1-11-3-6-13(9-15(11)17)20-16(18-10-19-20)12-4-7-14(21-2)8-5-12/h3-10H,1-2H3