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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-chlorophenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-chlorobenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C12H14ClN3OS MolecularWeight: 283.77706

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3OS/c1-2-7-16-11(17)14-15-12(16)18-8-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,17)