1-(2-cyanoethyl)-3-(3-fluoranyl-4-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(3-fluoranyl-4-methyl-phenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(3-fluoro-4-methyl-phenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(3-fluoro-4-methylphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(3-fluoro-4-methylphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(3-fluoro-4-methyl-phenyl)-1-(2-furfuryl)thiourea Formula: C16H16FN3OS MolecularWeight: 317.381143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCC#N)CC2=CC=CO2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCC#N)CC2=CC=CO2)F

InChI

InChI=1S/C16H16FN3OS/c1-12-5-6-13(10-15(12)17)19-16(22)20(8-3-7-18)11-14-4-2-9-21-14/h2,4-6,9-10H,3,8,11H2,1H3,(H,19,22)