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

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C25H31N5OS MolecularWeight: 449.61154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H31N5OS/c1-3-15-30-23(22-9-13-26-14-10-22)27-28-25(30)32-19(2)24(31)29-16-11-21(12-17-29)18-20-7-5-4-6-8-20/h4-10,13-14,19,21H,3,11-12,15-18H2,1-2H3