methyl-[3-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-ylidene]-phenyl-azanium

Systemtic Name: methyl-[3-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-ylidene]-phenyl-azanium Openeye Name: methyl-[2-[(4-nitrophenyl)methyl]-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]-phenyl-ammonium CAS Name: methyl-[3-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-ylidene]-phenylammonium IUPAC Name: methyl-[3-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-ylidene]-phenylazanium Traditional Name: methyl-[2-(4-nitrobenzyl)-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]-phenyl-ammonium Formula: C23H21N4O2S+ MolecularWeight: 417.50344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+](C)C3=CC=CC=C3)SN2CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+](C)C3=CC=CC=C3)SN2CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N4O2S/c1-17-8-12-19(13-9-17)22-24-23(25(2)20-6-4-3-5-7-20)30-26(22)16-18-10-14-21(15-11-18)27(28)29/h3-15H,16H2,1-2H3/q+1