N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-phenyl-2-thioxo-4-imidazoline-4-carboxamide Formula: C19H19N5O5S2 MolecularWeight: 461.51466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CNC(=S)N2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CNC(=S)N2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S2/c1-31(28,29)14-7-8-15(16(11-14)24(26)27)20-9-10-21-18(25)17-12-22-19(30)23(17)13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,21,25)(H,22,30)