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

Systemtic Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-phenethyl-thiourea Openeye Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-phenethyl-thiourea CAS Name: 1-[3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-3-phenethylthiourea IUPAC Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-phenethylthiourea Traditional Name: 1-[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-3-phenethyl-thiourea Formula: C18H18ClN5S2 MolecularWeight: 403.95202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NN2C=NN=C2SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NN2C=NN=C2SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN5S2/c19-16-8-6-15(7-9-16)12-26-18-22-21-13-24(18)23-17(25)20-11-10-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H2,20,23,25)