1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-pyridylmethyl)thiourea CAS Name: 1-[4-(difluoromethylthio)phenyl]-3-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-[4-(difluoromethylthio)phenyl]-3-(4-pyridylmethyl)thiourea Formula: C14H13F2N3S2 MolecularWeight: 325.399926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NCC2=CC=NC=C2)SC(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NCC2=CC=NC=C2)SC(F)F

InChI

InChI=1S/C14H13F2N3S2/c15-13(16)21-12-3-1-11(2-4-12)19-14(20)18-9-10-5-7-17-8-6-10/h1-8,13H,9H2,(H2,18,19,20)