1,1-bis(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1,1-bis(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1,1-bis(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1,1-bis(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1,1-bis(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1,1-bis(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C14H13F3N4S MolecularWeight: 326.34003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)N(CCC#N)CCC#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)N(CCC#N)CCC#N)C(F)(F)F

InChI

InChI=1S/C14H13F3N4S/c15-14(16,17)11-4-1-5-12(10-11)20-13(22)21(8-2-6-18)9-3-7-19/h1,4-5,10H,2-3,8-9H2,(H,20,22)