(4-phenethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone

Systemtic Name: (4-phenethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Openeye Name: (4-phenethyl-1-piperidyl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone CAS Name: (4-phenethyl-1-piperidinyl)-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone IUPAC Name: (4-phenethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Traditional Name: (4-phenethylpiperidino)-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C23H26N4OS/c28-22(21-10-8-20(9-11-21)16-29-23-24-17-25-26-23)27-14-12-19(13-15-27)7-6-18-4-2-1-3-5-18/h1-5,8-11,17,19H,6-7,12-16H2,(H,24,25,26)