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

Systemtic Name: ethyl 3-[2-[[5-[[(4-chlorophenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-[(4-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN5O3S/c1-3-30-20(29)14-5-4-6-17(11-14)24-19(28)13-31-21-26-25-18(27(21)2)12-23-16-9-7-15(22)8-10-16/h4-11,23H,3,12-13H2,1-2H3,(H,24,28)