N-(6-piperidin-1-ylpyridin-3-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(6-piperidin-1-ylpyridin-3-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[6-(1-piperidyl)-3-pyridyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[6-(1-piperidinyl)-3-pyridinyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(6-piperidin-1-ylpyridin-3-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(6-piperidino-3-pyridyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6OS/c27-19(16-6-4-15(5-7-16)13-28-20-22-14-23-25-20)24-17-8-9-18(21-12-17)26-10-2-1-3-11-26/h4-9,12,14H,1-3,10-11,13H2,(H,24,27)(H,22,23,25)