ethyl 2-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[5-(4-pyridyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[5-(4-pyridyl)-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=NC=N3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=NC=N3)C4=CC=NC=C4

InChI

InChI=1S/C18H18N4O2S/c1-2-24-18(23)15-13-5-3-4-6-14(13)25-17(15)22-16(20-11-21-22)12-7-9-19-10-8-12/h7-11H,2-6H2,1H3