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

Systemtic Name: 1-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methyl-thiourea Openeye Name: 1-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methyl-thiourea CAS Name: 1-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methylthiourea IUPAC Name: 1-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-methylthiourea Traditional Name: 1-[1-(2-fluorobenzyl)-1,2,4-triazol-3-yl]-3-methyl-thiourea Formula: C11H12FN5S MolecularWeight: 265.309883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12FN5S/c1-13-11(18)15-10-14-7-17(16-10)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H2,13,15,16,18)