[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-thioxo-1H-imidazol-4-yl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-(3-phenyl-2-thioxo-4-imidazolin-4-yl)methanone Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O5S2/c1-15-7-8-17(26(28)29)13-19(15)33(30,31)24-11-9-23(10-12-24)20(27)18-14-22-21(32)25(18)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,22,32)