4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-N-phenyl-benzamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C24H27N5OS/c30-22(25-20-7-3-1-4-8-20)19-11-9-18(10-12-19)17-31-24-27-26-23(29(24)21-13-14-21)28-15-5-2-6-16-28/h1,3-4,7-12,21H,2,5-6,13-17H2,(H,25,30)