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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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