8-ethyl-2-pyridin-4-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-ethyl-2-pyridin-4-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethyl-2-(4-pyridyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethyl-2-pyridin-4-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethyl-2-pyridin-4-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethyl-2-(4-pyridyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C19H16N4S MolecularWeight: 332.42214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=NC=C3)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=NC=C3)C4=CC=CS4

InChI

InChI=1S/C19H16N4S/c1-2-13-5-6-15-16(12-13)22-18(14-7-9-20-10-8-14)23-19(21-15)17-4-3-11-24-17/h3-12H,2H2,1H3,(H,21,22,23)