1-(3-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine

Systemtic Name: 1-(3-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Openeye Name: 1-(3-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine CAS Name: 1-(3-nitrophenyl)-N-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]methanimine IUPAC Name: 1-(3-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine Traditional Name: (3-nitrobenzylidene)-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]amine Formula: C21H14N4O4S2 MolecularWeight: 450.49026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O4S2/c26-24(27)17-7-4-14(5-8-17)13-30-21-23-19-9-6-16(11-20(19)31-21)22-12-15-2-1-3-18(10-15)25(28)29/h1-12H,13H2