N-(4-chlorophenyl)-5-(4-methylphenyl)-2,4-diphenyl-1,2,4-triazol-4-ium-3-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-5-(4-methylphenyl)-2,4-diphenyl-1,2,4-triazol-4-ium-3-carbothioamide Openeye Name: N-(4-chlorophenyl)-2,4-diphenyl-5-(p-tolyl)-1,2,4-triazol-4-ium-3-carbothioamide CAS Name: N-(4-chlorophenyl)-5-(4-methylphenyl)-2,4-diphenyl-1,2,4-triazol-4-ium-3-carbothioamide IUPAC Name: N-(4-chlorophenyl)-5-(4-methylphenyl)-2,4-diphenyl-1,2,4-triazol-4-ium-3-carbothioamide Traditional Name: N-(4-chlorophenyl)-2,4-diphenyl-5-(p-tolyl)-1,2,4-triazol-4-ium-3-carbothioamide Formula: C28H22ClN4S+ MolecularWeight: 482.01908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=[N+]2C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=[N+]2C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H21ClN4S/c1-20-12-14-21(15-13-20)26-31-33(25-10-6-3-7-11-25)28(32(26)24-8-4-2-5-9-24)27(34)30-23-18-16-22(29)17-19-23/h2-19H,1H3/p+1