methyl 2-chloranyl-5-[2-[[4-ethyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-[[4-ethyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-[[4-ethyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[[4-ethyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-[[4-ethyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[[4-ethyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H19ClN4O4S/c1-3-25-18(13-6-4-5-7-16(13)26)23-24-20(25)30-11-17(27)22-12-8-9-15(21)14(10-12)19(28)29-2/h4-10,23H,3,11H2,1-2H3,(H,22,27)