1-[4-(phenylmethyl)piperidin-1-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NN1)SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4OS/c1-3-7-18-21-20(23-22-18)26-15(2)19(25)24-12-10-17(11-13-24)14-16-8-5-4-6-9-16/h4-6,8-9,15,17H,3,7,10-14H2,1-2H3,(H,21,22,23)