3-butylsulfanyl-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-butylsulfanyl-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-butylsulfanyl-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one CAS Name: 3-(butylthio)-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-butylsulfanyl-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(butylthio)-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one Formula: C12H14ClN3OS MolecularWeight: 283.77706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=O)N1C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCSC1=NNC(=O)N1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3OS/c1-2-3-8-18-12-15-14-11(17)16(12)10-6-4-9(13)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,17)