propan-2-yl 3-[2-[[4-ethyl-5-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-[[4-ethyl-5-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[[4-ethyl-5-[2-(2-methylanilino)-2-oxo-ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[4-ethyl-5-[2-(2-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[[4-ethyl-5-[2-(2-methylanilino)-2-oxoethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-ethyl-5-[2-keto-2-(o-toluidino)ethyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C25H29N5O4S/c1-5-30-21(14-22(31)27-20-12-7-6-9-17(20)4)28-29-25(30)35-15-23(32)26-19-11-8-10-18(13-19)24(33)34-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,26,32)(H,27,31)