N-(4-piperidin-1-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-piperidin-1-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(1-piperidyl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(1-piperidinyl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(4-piperidin-1-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-piperidinophenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C21H23N5OS/c27-20(17-6-4-16(5-7-17)14-28-21-22-15-23-25-21)24-18-8-10-19(11-9-18)26-12-2-1-3-13-26/h4-11,15H,1-3,12-14H2,(H,24,27)(H,22,23,25)