N'-[4-(4-methoxyphenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide

Systemtic Name: N'-[4-(4-methoxyphenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide Openeye Name: N'-[4-(4-methoxyphenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazol-4-ium-5-yl]-N-(p-tolyl)benzamidine CAS Name: N'-[4-(4-methoxyphenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide IUPAC Name: N'-[4-(4-methoxyphenyl)-2-phenyl-3-sulfanylidene-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide Traditional Name: N'-[4-(4-methoxyphenyl)-2-phenyl-3-thioxo-1,2,4-thiadiazol-4-ium-5-yl]-N-(p-tolyl)benzamidine Formula: C29H25N4OS2+ MolecularWeight: 509.665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=NC2=[N+](C(=S)N(S2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=NC2=[N+](C(=S)N(S2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4OS2/c1-21-13-15-23(16-14-21)30-27(22-9-5-3-6-10-22)31-28-32(24-17-19-26(34-2)20-18-24)29(35)33(36-28)25-11-7-4-8-12-25/h3-20H,1-2H3/p+1