N-(3,4-dimethylphenyl)-4-(4-nitrophenyl)-3-(pentan-3-ylideneamino)-1,3-thiazol-3-ium-2-amine

Systemtic Name: N-(3,4-dimethylphenyl)-4-(4-nitrophenyl)-3-(pentan-3-ylideneamino)-1,3-thiazol-3-ium-2-amine Openeye Name: N-(3,4-dimethylphenyl)-3-(1-ethylpropylideneamino)-4-(4-nitrophenyl)thiazol-3-ium-2-amine CAS Name: N-(3,4-dimethylphenyl)-4-(4-nitrophenyl)-3-(pentan-3-ylideneamino)-2-thiazol-3-iumamine IUPAC Name: N-(3,4-dimethylphenyl)-4-(4-nitrophenyl)-3-(pentan-3-ylideneamino)-1,3-thiazol-3-ium-2-amine Traditional Name: (3,4-dimethylphenyl)-[3-(1-ethylpropylideneamino)-4-(4-nitrophenyl)thiazol-3-ium-2-yl]amine Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=N[N+]1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC(=C(C=C3)C)C)CC

Isomeric SMILES

CCC(=N[N+]1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC(=C(C=C3)C)C)CC

InChI

InChI=1S/C22H24N4O2S/c1-5-18(6-2)24-25-21(17-8-11-20(12-9-17)26(27)28)14-29-22(25)23-19-10-7-15(3)16(4)13-19/h7-14H,5-6H2,1-4H3/p+1