methyl-[3-(4-nitrophenyl)-5-phenyl-4-sulfanyl-1,3-thiazol-2-ylidene]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-(4-nitrophenyl)-5-phenyl-4-sulfanyl-1,3-thiazol-2-ylidene]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-(4-nitrophenyl)-5-phenyl-4-sulfanyl-thiazol-2-ylidene]ammonium CAS Name: [4-mercapto-3-(4-nitrophenyl)-5-phenyl-2-thiazolylidene]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-(4-nitrophenyl)-5-phenyl-4-sulfanyl-1,3-thiazol-2-ylidene]azanium Traditional Name: benzyl-[4-mercapto-3-(4-nitrophenyl)-5-phenyl-4-thiazolin-2-ylidene]-methyl-ammonium Formula: C23H20N3O2S2+ MolecularWeight: 434.5538

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1N(C(=C(S1)C2=CC=CC=C2)S)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C[N+](=C1N(C(=C(S1)C2=CC=CC=C2)S)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S2/c1-24(16-17-8-4-2-5-9-17)23-25(19-12-14-20(15-13-19)26(27)28)22(29)21(30-23)18-10-6-3-7-11-18/h2-15H,16H2,1H3/p+1