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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-17(29-22-23-20(24-25-22)19-10-6-3-7-11-19)21(28)27-14-12-26(13-15-27)16-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3,(H,23,24,25)