1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromanyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromanyl-2-methyl-phenyl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromo-2-methyl-phenyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromo-2-methylphenyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromo-2-methylphenyl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-bromo-2-methyl-phenyl)thiourea Formula: C16H11BrF6N2S MolecularWeight: 457.231359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11BrF6N2S/c1-8-4-11(17)2-3-13(8)25-14(26)24-12-6-9(15(18,19)20)5-10(7-12)16(21,22)23/h2-7H,1H3,(H2,24,25,26)