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

Systemtic Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-ethyl-thiourea Openeye Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-ethyl-thiourea CAS Name: 1-[3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-3-ethylthiourea IUPAC Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-ethylthiourea Traditional Name: 1-[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-3-ethyl-thiourea Formula: C12H14ClN5S2 MolecularWeight: 327.85606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN5S2/c1-2-14-11(19)17-18-8-15-16-12(18)20-7-9-3-5-10(13)6-4-9/h3-6,8H,2,7H2,1H3,(H2,14,17,19)