2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(4-fluorophenyl)benzamide

Systemtic Name: 2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-(4-fluorophenyl)benzamide Openeye Name: 2-[[2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(4-fluorophenyl)benzamide CAS Name: 2-[[2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-(4-fluorophenyl)benzamide IUPAC Name: 2-[[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-fluorophenyl)benzamide Traditional Name: 2-[[2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(4-fluorophenyl)benzamide Formula: C25H27FN6O2S MolecularWeight: 494.584283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C25H27FN6O2S/c26-17-8-10-18(11-9-17)27-23(34)20-6-2-3-7-21(20)28-22(33)16-35-25-30-29-24(32(25)19-12-13-19)31-14-4-1-5-15-31/h2-3,6-11,19H,1,4-5,12-16H2,(H,27,34)(H,28,33)