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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C19H27N5OS MolecularWeight: 373.51558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NN1)SC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N5OS/c1-14(2)17-20-19(22-21-17)26-15(3)18(25)24-11-9-23(10-12-24)13-16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,20,21,22)