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

Systemtic Name: ethyl 2-chloranyl-5-[2-[[4-methyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 5-[[2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-chloro-benzoate CAS Name: 2-chloro-5-[[2-[[4-methyl-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-[[5-[(benzylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)CSCC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)CSCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H23ClN4O3S2/c1-3-30-21(29)17-11-16(9-10-18(17)23)24-20(28)14-32-22-26-25-19(27(22)2)13-31-12-15-7-5-4-6-8-15/h4-11H,3,12-14H2,1-2H3,(H,24,28)