N-[3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]benzenesulfonamide

Systemtic Name: N-[3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]benzenesulfonamide Openeye Name: N-[3-methyl-4-(5-nitrothiazol-2-yl)azo-phenyl]benzenesulfonamide CAS Name: N-[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]benzenesulfonamide IUPAC Name: N-[3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]benzenesulfonamide Traditional Name: N-[3-methyl-4-(5-nitrothiazol-2-yl)azo-phenyl]benzenesulfonamide Formula: C16H13N5O4S2 MolecularWeight: 403.43552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)N=NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)N=NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S2/c1-11-9-12(20-27(24,25)13-5-3-2-4-6-13)7-8-14(11)18-19-16-17-10-15(26-16)21(22)23/h2-10,20H,1H3