1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol hydrochloride

Systemtic Name: 1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol hydrochloride Openeye Name: 1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol hydrochloride CAS Name: 1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-3-(phenylthio)-2-propanol hydrochloride IUPAC Name: 1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol hydrochloride Traditional Name: 1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]-3-(phenylthio)propan-2-ol hydrochloride Formula: C21H25ClN4OS2 MolecularWeight: 449.0324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CSC2=CC=CC=C2)O)C3=NC(=NS3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1CC(CSC2=CC=CC=C2)O)C3=NC(=NS3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H24N4OS2.ClH/c26-18(16-27-19-9-5-2-6-10-19)15-24-11-13-25(14-12-24)21-22-20(23-28-21)17-7-3-1-4-8-17;/h1-10,18,26H,11-16H2;1H