methyl 3-[1-(3,4-dichlorophenyl)propyl]-5-pyridin-4-yl-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-[1-(3,4-dichlorophenyl)propyl]-5-pyridin-4-yl-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[1-(3,4-dichlorophenyl)propyl]-5-(4-pyridyl)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[1-(3,4-dichlorophenyl)propyl]-5-pyridin-4-yl-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-(3,4-dichlorophenyl)propyl]-5-pyridin-4-yl-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-[1-(3,4-dichlorophenyl)propyl]-5-(4-pyridyl)-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C19H17Cl2N3O2S MolecularWeight: 422.32818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)Cl)Cl)N2C(=C(NC2=S)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CCC(C1=CC(=C(C=C1)Cl)Cl)N2C(=C(NC2=S)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C19H17Cl2N3O2S/c1-3-15(12-4-5-13(20)14(21)10-12)24-17(18(25)26-2)16(23-19(24)27)11-6-8-22-9-7-11/h4-10,15H,3H2,1-2H3,(H,23,27)