ethyl 4-chloranyl-3-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-chloranyl-3-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-chloro-3-[[2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-[[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21ClN4O3S MolecularWeight: 444.93444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=C3C

InChI

InChI=1S/C21H21ClN4O3S/c1-4-29-20(28)14-9-10-16(22)17(11-14)23-18(27)12-30-21-25-24-19(26(21)3)15-8-6-5-7-13(15)2/h5-11H,4,12H2,1-3H3,(H,23,27)