5-[(2-ethylphenyl)methylsulfanyl]-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-olate

Systemtic Name: 5-[(2-ethylphenyl)methylsulfanyl]-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-olate Openeye Name: 5-[(2-ethylphenyl)methylsulfanyl]-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-olate CAS Name: 5-[(2-ethylphenyl)methylthio]-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-olate IUPAC Name: 5-[(2-ethylphenyl)methylsulfanyl]-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-olate Traditional Name: 5-[(2-ethylbenzyl)thio]-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-olate Formula: C19H20N3OS- MolecularWeight: 338.4466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CSC2=NN=C(N2C(C)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=CC=CC=C1CSC2=NN=C(N2[C@H](C)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H21N3OS/c1-3-15-9-7-8-12-17(15)13-24-19-21-20-18(23)22(19)14(2)16-10-5-4-6-11-16/h4-12,14H,3,13H2,1-2H3,(H,20,23)/p-1/t14-/m1/s1