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

Systemtic Name: 4-methyl-1-(phenylmethyl)-5-phenylsulfanyl-1,2,4-triazol-4-ium iodide Openeye Name: 1-benzyl-4-methyl-5-phenylsulfanyl-1,2,4-triazol-4-ium iodide CAS Name: 4-methyl-1-(phenylmethyl)-5-(phenylthio)-1,2,4-triazol-4-ium iodide IUPAC Name: 1-benzyl-4-methyl-5-phenylsulfanyl-1,2,4-triazol-4-ium iodide Traditional Name: 1-benzyl-4-methyl-5-(phenylthio)-1,2,4-triazol-4-ium iodide Formula: C16H16IN3S MolecularWeight: 409.28781

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N3S.HI/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;1H/q+1;/p-1