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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(1-phenyl-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=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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