4-methyl-1-(phenylmethyl)-5-phenylsulfanyl-1,2,4-triazol-4-ium

Systemtic Name: 4-methyl-1-(phenylmethyl)-5-phenylsulfanyl-1,2,4-triazol-4-ium Openeye Name: 1-benzyl-4-methyl-5-phenylsulfanyl-1,2,4-triazol-4-ium CAS Name: 4-methyl-1-(phenylmethyl)-5-(phenylthio)-1,2,4-triazol-4-ium IUPAC Name: 1-benzyl-4-methyl-5-phenylsulfanyl-1,2,4-triazol-4-ium Traditional Name: 1-benzyl-4-methyl-5-(phenylthio)-1,2,4-triazol-4-ium Formula: C16H16N3S+ MolecularWeight: 282.38334

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(N=C1)CC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(N(N=C1)CC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C16H16N3S/c1-18-13-17-19(12-14-8-4-2-5-9-14)16(18)20-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/q+1