2-[[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[[[2-[4-(p-tolyl)-2-thioxo-thiazol-3-yl]acetyl]amino]methyl]phenolate CAS Name: 2-[[[2-[4-(4-methylphenyl)-2-sulfanylidene-3-thiazolyl]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[[[2-[4-(p-tolyl)-2-thioxo-4-thiazolin-3-yl]acetyl]amino]methyl]phenolate Formula: C19H16N3O4S2- MolecularWeight: 414.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H17N3O4S2/c1-12-2-4-13(5-3-12)16-11-28-19(27)21(16)10-18(24)20-9-14-8-15(22(25)26)6-7-17(14)23/h2-8,11,23H,9-10H2,1H3,(H,20,24)/p-1