2-(3-methylsulfanylphenyl)-2-(phenylmethyl)-4H-1,2,4-triazol-2-ium-3-thione

Systemtic Name: 2-(3-methylsulfanylphenyl)-2-(phenylmethyl)-4H-1,2,4-triazol-2-ium-3-thione Openeye Name: 2-benzyl-2-(3-methylsulfanylphenyl)-4H-1,2,4-triazol-2-ium-3-thione CAS Name: 2-[3-(methylthio)phenyl]-2-(phenylmethyl)-4H-1,2,4-triazol-2-ium-3-thione IUPAC Name: 2-benzyl-2-(3-methylsulfanylphenyl)-4H-1,2,4-triazol-2-ium-3-thione Traditional Name: 2-benzyl-2-[3-(methylthio)phenyl]-4H-1,2,4-triazol-2-ium-3-thione Formula: C16H16N3S2+ MolecularWeight: 314.44834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)[N+]2(C(=S)NC=N2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)[N+]2(C(=S)NC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H15N3S2/c1-21-15-9-5-8-14(10-15)19(16(20)17-12-18-19)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3/p+1