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

Systemtic Name: 4-[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: 4-[[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O2S/c1-2-10-25-18(14-4-3-9-21-11-14)23-24-19(25)28-12-16(26)22-15-7-5-13(6-8-15)17(20)27/h2-9,11H,1,10,12H2,(H2,20,27)(H,22,26)