4-ethyl-3-(phenylmethylsulfanyl)-5-propan-2-yl-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(phenylmethylsulfanyl)-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-ethyl-5-isopropyl-1,2,4-triazole CAS Name: 4-ethyl-3-(phenylmethylthio)-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-ethyl-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-ethyl-5-isopropyl-1,2,4-triazole Formula: C14H19N3S MolecularWeight: 261.38576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C14H19N3S/c1-4-17-13(11(2)3)15-16-14(17)18-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3