4-butyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[2-(4-chlorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[2-(4-chlorophenyl)sulfonylethylthio]-1H-1,2,4-triazol-5-one Formula: C14H18ClN3O3S2 MolecularWeight: 375.89402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClN3O3S2/c1-2-3-8-18-13(19)16-17-14(18)22-9-10-23(20,21)12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3,(H,16,19)