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

Systemtic Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C25H27N7OS MolecularWeight: 473.59318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N7OS/c33-23(26-16-20-17-27-31(18-20)21-10-4-1-5-11-21)19-34-25-29-28-24(30-14-8-3-9-15-30)32(25)22-12-6-2-7-13-22/h1-2,4-7,10-13,17-18H,3,8-9,14-16,19H2,(H,26,33)