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

Systemtic Name: 4-butyl-3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(2-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-chlorobenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=CC=C2Cl

InChI

InChI=1S/C13H16ClN3OS/c1-2-3-8-17-12(18)15-16-13(17)19-9-10-6-4-5-7-11(10)14/h4-7H,2-3,8-9H2,1H3,(H,15,18)