[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C17H13N3O6S2 MolecularWeight: 419.43162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)N=C(S3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)N=C(S3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S2/c1-10-2-7-13(9-14(10)20(22)23)28(24,25)26-12-5-3-11(4-6-12)8-15-16(21)19-17(18)27-15/h2-9H,1H3,(H2,18,19,21)