[2-oxidanylidene-3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]-triphenyl-phosphanium dihydrochloride

Systemtic Name: [2-oxidanylidene-3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]-triphenyl-phosphanium dihydrochloride Openeye Name: [2-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]-triphenyl-phosphonium dihydrochloride CAS Name: [2-oxo-3-(1H-1,2,4-triazol-5-ylthio)propyl]-triphenylphosphonium dihydrochloride IUPAC Name: [2-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]-triphenylphosphanium dihydrochloride Traditional Name: [2-keto-3-(1H-1,2,4-triazol-5-ylthio)propyl]-triphenyl-phosphonium dihydrochloride Formula: C23H23Cl2N3OPS+ MolecularWeight: 491.392981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC(=O)CSC2=NC=NN2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC(=O)CSC2=NC=NN2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C23H21N3OPS.2ClH/c27-19(17-29-23-24-18-25-26-23)16-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;;/h1-15,18H,16-17H2,(H,24,25,26);2*1H/q+1;;