1-butyl-3-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea

Systemtic Name: 1-butyl-3-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea Openeye Name: 1-butyl-3-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea CAS Name: 1-butyl-3-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea IUPAC Name: 1-butyl-3-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea Traditional Name: 1-butyl-3-[1-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thiourea Formula: C14H18FN5S MolecularWeight: 307.389623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NN(C=N1)CC2=CC=CC=C2F

Isomeric SMILES

CCCCNC(=S)NC1=NN(C=N1)CC2=CC=CC=C2F

InChI

InChI=1S/C14H18FN5S/c1-2-3-8-16-14(21)18-13-17-10-20(19-13)9-11-6-4-5-7-12(11)15/h4-7,10H,2-3,8-9H2,1H3,(H2,16,18,19,21)