1-[3,5-bis(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-pyridylmethyl)thiourea CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-pyridinylmethyl)thiourea IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(2-pyridylmethyl)thiourea Formula: C15H11F6N3S MolecularWeight: 379.323359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H11F6N3S/c16-14(17,18)9-5-10(15(19,20)21)7-12(6-9)24-13(25)23-8-11-3-1-2-4-22-11/h1-7H,8H2,(H2,23,24,25)