2-(5-methyl-1,3-diphenyl-1,2,4-triazol-4-ium-4-yl)ethyl (E)-N-phenylazanylbenzenecarboximidothioate chloride

Systemtic Name: 2-(5-methyl-1,3-diphenyl-1,2,4-triazol-4-ium-4-yl)ethyl (E)-N-phenylazanylbenzenecarboximidothioate chloride Openeye Name: 2-(5-methyl-1,3-diphenyl-1,2,4-triazol-4-ium-4-yl)ethyl (E)-N-anilinobenzenecarboximidothioate chloride CAS Name: (E)-N-anilinobenzenecarboximidothioic acid 2-(5-methyl-1,3-diphenyl-1,2,4-triazol-4-ium-4-yl)ethyl ester chloride IUPAC Name: 2-(5-methyl-1,3-diphenyl-1,2,4-triazol-4-ium-4-yl)ethyl (E)-N-anilinobenzenecarboximidothioate chloride Traditional Name: (E)-N-anilinobenzenecarboximidothioic acid 2-(5-methyl-1,3-diphenyl-1,2,4-triazol-4-ium-4-yl)ethyl ester chloride Formula: C30H28ClN5S MolecularWeight: 526.09482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)CCSC(=NNC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=[N+](C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)CCS/C(=N/NC4=CC=CC=C4)/C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C30H28N5S.ClH/c1-24-34(29(25-14-6-2-7-15-25)33-35(24)28-20-12-5-13-21-28)22-23-36-30(26-16-8-3-9-17-26)32-31-27-18-10-4-11-19-27;/h2-21,31H,22-23H2,1H3;1H/q+1;/p-1/b32-30+;