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

Systemtic Name: N-[4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[4-[4-methyl-5-[2-(1-piperidyl)ethylsulfanyl]-1,2,4-triazol-3-yl]phenyl]benzamide CAS Name: N-[4-[4-methyl-5-[2-(1-piperidinyl)ethylthio]-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: N-[4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[4-[4-methyl-5-(2-piperidinoethylthio)-1,2,4-triazol-3-yl]phenyl]benzamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN2CCCCC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCN2CCCCC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-27-21(25-26-23(27)30-17-16-28-14-6-3-7-15-28)18-10-12-20(13-11-18)24-22(29)19-8-4-2-5-9-19/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,24,29)