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

Systemtic Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(3-nitrophenyl)methanimine Openeye Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(3-nitrophenyl)methanimine CAS Name: N-[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]-1-(3-nitrophenyl)methanimine IUPAC Name: N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(3-nitrophenyl)methanimine Traditional Name: [2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]-(3-nitrobenzylidene)amine Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O2S2/c1-25(2,3)19-9-7-17(8-10-19)16-31-24-27-22-12-11-20(14-23(22)32-24)26-15-18-5-4-6-21(13-18)28(29)30/h4-15H,16H2,1-3H3