S-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl] 4-methylbenzenecarbothioate

Systemtic Name: S-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl] 4-methylbenzenecarbothioate Openeye Name: S-[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl] ester IUPAC Name: S-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[4-(3,4-dichlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl] ester Formula: C21H14Cl2N4OS MolecularWeight: 441.33306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H14Cl2N4OS/c1-13-2-4-15(5-3-13)20(28)29-21-26-25-19(14-8-10-24-11-9-14)27(21)16-6-7-17(22)18(23)12-16/h2-12H,1H3