N-[(4-chlorophenyl)-phenyl-methyl]-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-chlorophenyl)-phenyl-methyl]-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-chlorophenyl)-phenyl-methyl]-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(4-chlorophenyl)-phenylmethyl]-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(4-chlorophenyl)-phenylmethyl]-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(4-chlorophenyl)-phenyl-methyl]-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C25H28ClN5OS MolecularWeight: 482.04072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H28ClN5OS/c26-20-11-9-19(10-12-20)23(18-7-3-1-4-8-18)27-22(32)17-33-25-29-28-24(31(25)21-13-14-21)30-15-5-2-6-16-30/h1,3-4,7-12,21,23H,2,5-6,13-17H2,(H,27,32)