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

Systemtic Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-methyl-thiourea Openeye Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-methyl-thiourea CAS Name: 1-[3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-3-methylthiourea IUPAC Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-methylthiourea Traditional Name: 1-[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-3-methyl-thiourea Formula: C11H12ClN5S2 MolecularWeight: 313.82948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN1C=NN=C1SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CNC(=S)NN1C=NN=C1SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H12ClN5S2/c1-13-10(18)16-17-7-14-15-11(17)19-6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,16,18)