propan-2-yl 4-chloranyl-3-[2-[[5-[1-[(4-chlorophenyl)carbonylamino]ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-chloranyl-3-[2-[[5-[1-[(4-chlorophenyl)carbonylamino]ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[[4-allyl-5-[1-[(4-chlorobenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[2-[[5-[1-[[(4-chlorophenyl)-oxomethyl]amino]ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-3-[[2-[[5-[1-[(4-chlorobenzoyl)amino]ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-allyl-5-[1-[(4-chlorobenzoyl)amino]ethyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-chloro-benzoic acid isopropyl ester Formula: C26H27Cl2N5O4S MolecularWeight: 576.49468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H27Cl2N5O4S/c1-5-12-33-23(16(4)29-24(35)17-6-9-19(27)10-7-17)31-32-26(33)38-14-22(34)30-21-13-18(8-11-20(21)28)25(36)37-15(2)3/h5-11,13,15-16H,1,12,14H2,2-4H3,(H,29,35)(H,30,34)