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

Systemtic Name: 2-[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[(5-cyclopentyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(4-allyl-5-cyclopentyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)N)C3CCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)N)C3CCCC3

InChI

InChI=1S/C19H23N5O2S/c1-2-11-24-18(13-7-3-4-8-13)22-23-19(24)27-12-16(25)21-15-10-6-5-9-14(15)17(20)26/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H2,20,26)(H,21,25)