2-chloranyl-5-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 5-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 5-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-2-chloro-benzoic acid Formula: C19H16ClN5O3S MolecularWeight: 429.88004

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C19H16ClN5O3S/c1-2-9-25-17(12-5-7-21-8-6-12)23-24-19(25)29-11-16(26)22-13-3-4-15(20)14(10-13)18(27)28/h2-8,10H,1,9,11H2,(H,22,26)(H,27,28)