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

Systemtic Name: 1-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-N-(4-pentoxyphenyl)methanimine Openeye Name: 1-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-N-(4-pentoxyphenyl)methanimine CAS Name: 1-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]phenyl]-N-(4-pentoxyphenyl)methanimine IUPAC Name: 1-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-N-(4-pentoxyphenyl)methanimine Traditional Name: (4-amoxyphenyl)-[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]benzylidene]amine Formula: C25H22N4O5S2 MolecularWeight: 522.59598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)SC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5S2/c1-2-3-4-13-34-20-9-6-18(7-10-20)26-16-17-5-12-23(22(14-17)29(32)33)35-25-27-21-11-8-19(28(30)31)15-24(21)36-25/h5-12,14-16H,2-4,13H2,1H3