1-(2-cyanoethyl)-3-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(4-fluorophenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(4-fluorophenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(4-fluorophenyl)-1-(3-pyridylmethyl)thiourea Formula: C16H15FN4S MolecularWeight: 314.380503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FN4S/c17-14-4-6-15(7-5-14)20-16(22)21(10-2-8-18)12-13-3-1-9-19-11-13/h1,3-7,9,11H,2,10,12H2,(H,20,22)