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

Systemtic Name: N-cyclopropyl-2-[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3)C4=CN=CC=C4

InChI

InChI=1S/C22H22N6O2S/c1-2-12-28-20(15-6-5-11-23-13-15)26-27-22(28)31-14-19(29)25-18-8-4-3-7-17(18)21(30)24-16-9-10-16/h2-8,11,13,16H,1,9-10,12,14H2,(H,24,30)(H,25,29)