[4-[[3-(2-azanylethyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[[3-(2-azanylethyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[[3-(2-aminoethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[[3-(2-aminoethyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]phenyl] ester IUPAC Name: [4-[[3-(2-aminoethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[[3-(2-aminoethyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]phenyl] ester Formula: C19H17N3O6S3 MolecularWeight: 479.54978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6S3/c1-12-2-5-14(22(24)25)11-17(12)31(26,27)28-15-6-3-13(4-7-15)10-16-18(23)21(9-8-20)19(29)30-16/h2-7,10-11H,8-9,20H2,1H3