4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)-N-(4-nitrophenyl)but-2-en-1-imine

Systemtic Name: 4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)-N-(4-nitrophenyl)but-2-en-1-imine Openeye Name: 4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)-N-(4-nitrophenyl)but-2-en-1-imine CAS Name: 4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)-N-(4-nitrophenyl)-2-buten-1-imine IUPAC Name: 4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)-N-(4-nitrophenyl)but-2-en-1-imine Traditional Name: 4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)but-2-enylidene-(4-nitrophenyl)amine Formula: C22H18N3O2S+ MolecularWeight: 388.46222

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(=CC=CC=NC2=CC=C(C=C2)[N+](=O)[O-])SC3=C1C4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1C(=CC=CC=NC2=CC=C(C=C2)[N+](=O)[O-])SC3=C1C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H17N3O2S/c1-24-21(28-20-14-9-16-6-2-3-7-19(16)22(20)24)8-4-5-15-23-17-10-12-18(13-11-17)25(26)27/h2-15H,1H3/p+1