5-[(4-cyanophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[(4-cyanophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate Openeye Name: 5-[(4-cyanophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate CAS Name: 5-[(4-cyanophenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(4-cyanophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate Traditional Name: 5-[(4-cyanobenzyl)thio]-4-phenethyl-1,2,4-triazol-3-olate Formula: C18H15N4OS- MolecularWeight: 335.4029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)C#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)C#N)[O-]

InChI

InChI=1S/C18H16N4OS/c19-12-15-6-8-16(9-7-15)13-24-18-21-20-17(23)22(18)11-10-14-4-2-1-3-5-14/h1-9H,10-11,13H2,(H,20,23)/p-1