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

Systemtic Name: 7-ethyl-5-pyridin-3-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethyl-5-(3-pyridyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethyl-5-(3-pyridinyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethyl-5-pyridin-3-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-5-(3-pyridyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C19H16N4S MolecularWeight: 332.42214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CN=CC=C4

InChI

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