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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-chlorophenyl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-chlorobenzyl)thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C12H12ClN3OS MolecularWeight: 281.76118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C12H12ClN3OS/c13-9-3-1-2-8(6-9)7-18-12-15-14-11(17)16(12)10-4-5-10/h1-3,6,10H,4-5,7H2,(H,14,17)