methyl 4-chloranyl-3-[2-[[5-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[[5-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[4-allyl-5-[2-(3-methoxyanilino)-2-oxo-ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[2-[[5-[2-(3-methoxyanilino)-2-oxoethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[[5-[2-(3-methoxyanilino)-2-oxoethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-allyl-5-[2-keto-2-(m-anisidino)ethyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C24H24ClN5O5S MolecularWeight: 529.99586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C24H24ClN5O5S/c1-4-10-30-20(13-21(31)26-16-6-5-7-17(12-16)34-2)28-29-24(30)36-14-22(32)27-19-11-15(23(33)35-3)8-9-18(19)25/h4-9,11-12H,1,10,13-14H2,2-3H3,(H,26,31)(H,27,32)