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

Systemtic Name: 2-chloranyl-4-[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-chloro-benzoic acid CAS Name: 2-chloro-4-[[1-oxo-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-allyl-5-(3-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)C(=O)O)Cl)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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