N-(2-methoxyphenyl)-1-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methanimine

Systemtic Name: N-(2-methoxyphenyl)-1-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methanimine Openeye Name: N-(2-methoxyphenyl)-1-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methanimine CAS Name: N-(2-methoxyphenyl)-1-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]phenyl]methanimine IUPAC Name: N-(2-methoxyphenyl)-1-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methanimine Traditional Name: (2-methoxyphenyl)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]benzylidene]amine Formula: C21H14N4O5S2 MolecularWeight: 466.48966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N=CC2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N=CC2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O5S2/c1-30-18-5-3-2-4-15(18)22-12-13-6-9-19(17(10-13)25(28)29)31-21-23-16-8-7-14(24(26)27)11-20(16)32-21/h2-12H,1H3