1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methyl-3-nitro-phenyl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methyl-3-nitro-phenyl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methyl-3-nitro-phenyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methyl-3-nitrophenyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methyl-3-nitrophenyl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methyl-3-nitro-phenyl)thiourea Formula: C16H11F6N3O2S MolecularWeight: 423.332859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6N3O2S/c1-8-12(3-2-4-13(8)25(26)27)24-14(28)23-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h2-7H,1H3,(H2,23,24,28)