1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Openeye Name: 1-(4-fluorophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]-3-(p-tolylsulfonyl)thiourea CAS Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Traditional Name: 1-(4-fluorophenyl)-1,3-dinosyl-3-tosyl-thiourea Formula: C26H19FN4O10S4 MolecularWeight: 694.708263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(=S)N(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(=S)N(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H19FN4O10S4/c1-18-2-12-24(13-3-18)44(38,39)31(45(40,41)25-16-10-22(11-17-25)30(34)35)26(42)28(20-6-4-19(27)5-7-20)43(36,37)23-14-8-21(9-15-23)29(32)33/h2-17H,1H3