1,4-diphenyl-3-(phenylmethylsulfanyl)-1,2,4-triazol-4-ium chloride

Systemtic Name: 1,4-diphenyl-3-(phenylmethylsulfanyl)-1,2,4-triazol-4-ium chloride Openeye Name: 3-benzylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium chloride CAS Name: 1,4-diphenyl-3-(phenylmethylthio)-1,2,4-triazol-4-ium chloride IUPAC Name: 3-benzylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium chloride Traditional Name: 3-(benzylthio)-1,4-diphenyl-1,2,4-triazol-4-ium chloride Formula: C21H18ClN3S MolecularWeight: 379.90572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H18N3S.ClH/c1-4-10-18(11-5-1)16-25-21-22-24(20-14-8-3-9-15-20)17-23(21)19-12-6-2-7-13-19;/h1-15,17H,16H2;1H/q+1;/p-1