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

Systemtic Name: N-(4-methoxyphenyl)-4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)but-2-en-1-imine Openeye Name: N-(4-methoxyphenyl)-4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)but-2-en-1-imine CAS Name: N-(4-methoxyphenyl)-4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)-2-buten-1-imine IUPAC Name: N-(4-methoxyphenyl)-4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)but-2-en-1-imine Traditional Name: (4-methoxyphenyl)-[4-(1-methyl-1H-benzo[e][1,3]benzothiazol-1-ium-2-ylidene)but-2-enylidene]amine Formula: C23H21N2OS+ MolecularWeight: 373.49064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2OS/c1-25-22(9-5-6-16-24-18-11-13-19(26-2)14-12-18)27-21-15-10-17-7-3-4-8-20(17)23(21)25/h3-16H,1-2H3/p+1