1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-N-(2,4-dimethoxyphenyl)methanimine

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-N-(2,4-dimethoxyphenyl)methanimine Openeye Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]-N-(2,4-dimethoxyphenyl)methanimine CAS Name: 1-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]-N-(2,4-dimethoxyphenyl)methanimine IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]-N-(2,4-dimethoxyphenyl)methanimine Traditional Name: [4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]-(2,4-dimethoxyphenyl)amine Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N=CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)N=CC2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H17N3O4S2/c1-28-15-8-9-16(19(12-15)29-2)23-13-14-7-10-21(18(11-14)25(26)27)31-22-24-17-5-3-4-6-20(17)30-22/h3-13H,1-2H3