[3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-(2-methyl-5-nitro-phenyl)sulfonyl-azanide

Systemtic Name: [3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-(2-methyl-5-nitro-phenyl)sulfonyl-azanide Openeye Name: [3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-(2-methyl-5-nitro-phenyl)sulfonyl-azanide CAS Name: [3-(1,3-benzothiazol-2-ylthio)phenyl]-(2-methyl-5-nitrophenyl)sulfonylazanide IUPAC Name: [3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-(2-methyl-5-nitrophenyl)sulfonylazanide Traditional Name: [3-(1,3-benzothiazol-2-ylthio)phenyl]-(2-methyl-5-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)[N+](=O)[O-])S(=O)(=O)[N-]C2=CC(=CC=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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