1-(4-phenylpiperazin-1-yl)-3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: 1-(4-phenylpiperazin-1-yl)-3-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol CAS Name: 1-(4-phenyl-1-piperazinyl)-3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: 1-(4-phenylpiperazino)-3-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propan-2-ol Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=NNC(=N2)C3=CC=NC=C3)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(CSC2=NNC(=N2)C3=CC=NC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6OS/c27-18(14-25-10-12-26(13-11-25)17-4-2-1-3-5-17)15-28-20-22-19(23-24-20)16-6-8-21-9-7-16/h1-9,18,27H,10-15H2,(H,22,23,24)