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

Systemtic Name: 1,4-diphenyl-3-(phenylmethylsulfanyl)-1,2,4-triazol-4-ium Openeye Name: 3-benzylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium CAS Name: 1,4-diphenyl-3-(phenylmethylthio)-1,2,4-triazol-4-ium IUPAC Name: 3-benzylsulfanyl-1,4-diphenyl-1,2,4-triazol-4-ium Traditional Name: 3-(benzylthio)-1,4-diphenyl-1,2,4-triazol-4-ium Formula: C21H18N3S+ MolecularWeight: 344.45272

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N3S/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/q+1