5-cyclopropyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-cyclopropyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-cyclopropyl-1H-1,2,4-triazole CAS Name: 5-cyclopropyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-cyclopropyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-cyclopropyl-1H-1,2,4-triazole Formula: C12H13N3S MolecularWeight: 231.31672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C12H13N3S/c1-2-4-9(5-3-1)8-16-12-13-11(14-15-12)10-6-7-10/h1-5,10H,6-8H2,(H,13,14,15)