6-[[[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-[(4-tert-butylphenyl)methylthio]-1,3-benzothiazol-6-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-[(4-tert-butylbenzyl)thio]-1,3-benzothiazol-6-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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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)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O3S2/c1-25(2,3)18-6-4-16(5-7-18)15-32-24-27-21-10-8-19(13-23(21)33-24)26-14-17-12-20(28(30)31)9-11-22(17)29/h4-14,26H,15H2,1-3H3