[3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-(4-methyl-3-nitro-phenyl)sulfonyl-azanide

Systemtic Name: [3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-(4-methyl-3-nitro-phenyl)sulfonyl-azanide Openeye Name: [3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-(4-methyl-3-nitro-phenyl)sulfonyl-azanide CAS Name: [3-(1,3-benzothiazol-2-ylthio)phenyl]-(4-methyl-3-nitrophenyl)sulfonylazanide IUPAC Name: [3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-(4-methyl-3-nitrophenyl)sulfonylazanide Traditional Name: [3-(1,3-benzothiazol-2-ylthio)phenyl]-(4-methyl-3-nitro-phenyl)sulfonyl-azanide Formula: C20H14N3O4S3- MolecularWeight: 456.53786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=CC(=CC=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=CC(=CC=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N3O4S3/c1-13-9-10-16(12-18(13)23(24)25)30(26,27)22-14-5-4-6-15(11-14)28-20-21-17-7-2-3-8-19(17)29-20/h2-12H,1H3/q-1