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

Systemtic Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-propyl-thiourea Openeye Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-propyl-thiourea CAS Name: 1-[3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-3-propylthiourea IUPAC Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-propylthiourea Traditional Name: 1-[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-3-propyl-thiourea Formula: C13H16ClN5S2 MolecularWeight: 341.88264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN5S2/c1-2-7-15-12(20)18-19-9-16-17-13(19)21-8-10-3-5-11(14)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,15,18,20)