1-[[4-(4-nitrophenyl)sulfanylphenyl]-sulfinato-amino]-3-(trifluoromethyl)benzene

Systemtic Name: 1-[[4-(4-nitrophenyl)sulfanylphenyl]-sulfinato-amino]-3-(trifluoromethyl)benzene Openeye Name: 1-[4-(4-nitrophenyl)sulfanyl-N-sulfinato-anilino]-3-(trifluoromethyl)benzene CAS Name: 1-[4-[(4-nitrophenyl)thio]-N-sulfinatoanilino]-3-(trifluoromethyl)benzene IUPAC Name: 1-[4-(4-nitrophenyl)sulfanyl-N-sulfinatoanilino]-3-(trifluoromethyl)benzene Traditional Name: 1-[4-[(4-nitrophenyl)thio]-N-sulfinato-anilino]-3-(trifluoromethyl)benzene Formula: C19H12F3N2O4S2- MolecularWeight: 453.43479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])S(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N(C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])S(=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H13F3N2O4S2/c20-19(21,22)13-2-1-3-16(12-13)23(30(27)28)14-4-8-17(9-5-14)29-18-10-6-15(7-11-18)24(25)26/h1-12H,(H,27,28)/p-1