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

Systemtic Name: N-[(2-cyanophenyl)carbamoyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(2-cyanophenyl)carbamoyl]-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(2-cyanoanilino)-oxomethyl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2-cyanophenyl)carbamoyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(2-cyanophenyl)carbamoyl]-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H23N7O2S MolecularWeight: 461.53942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C23H23N7O2S/c24-15-17-9-5-6-12-19(17)25-21(32)26-20(31)16-33-23-28-27-22(29-13-7-2-8-14-29)30(23)18-10-3-1-4-11-18/h1,3-6,9-12H,2,7-8,13-14,16H2,(H2,25,26,31,32)