1-[4-(cyanomethyl)phenyl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[4-(cyanomethyl)phenyl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[4-(cyanomethyl)phenyl]-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-[4-(cyanomethyl)phenyl]-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-[4-(cyanomethyl)phenyl]-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-[4-(cyanomethyl)phenyl]-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C16H14FN3S MolecularWeight: 299.365863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC#N)F

InChI

InChI=1S/C16H14FN3S/c1-11-2-5-14(10-15(11)17)20-16(21)19-13-6-3-12(4-7-13)8-9-18/h2-7,10H,8H2,1H3,(H2,19,20,21)