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

Systemtic Name: 1-butyl-3-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]thiourea Openeye Name: 1-butyl-3-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]thiourea CAS Name: 1-butyl-3-[3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]thiourea IUPAC Name: 1-butyl-3-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]thiourea Traditional Name: 1-butyl-3-[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]thiourea Formula: C14H18ClN5S2 MolecularWeight: 355.90922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN5S2/c1-2-3-8-16-13(21)19-20-10-17-18-14(20)22-9-11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H2,16,19,21)