4-[2-[(2-ethoxypyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[(2-ethoxypyridin-3-yl)methylamino]-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(2-ethoxy-3-pyridyl)methylamino]-2-oxo-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(2-ethoxy-3-pyridinyl)methylamino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(2-ethoxypyridin-3-yl)methylamino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(2-ethoxy-3-pyridyl)methylamino]-2-keto-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C19H20N5O2S- MolecularWeight: 382.4594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)CN2C(=NN=C2[S-])C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)CN2C(=NN=C2[S-])C3=CC(=CC=C3)C

InChI

InChI=1S/C19H21N5O2S/c1-3-26-18-15(8-5-9-20-18)11-21-16(25)12-24-17(22-23-19(24)27)14-7-4-6-13(2)10-14/h4-10H,3,11-12H2,1-2H3,(H,21,25)(H,23,27)/p-1