5-pyridin-3-yl-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine

Systemtic Name: 5-pyridin-3-yl-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(3-pyridyl)-2-(2-thienyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 5-(3-pyridinyl)-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 5-pyridin-3-yl-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-(3-pyridyl)-2-(2-thienyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C21H14N4S MolecularWeight: 354.42766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(NN=C(N=C32)C4=CC=CS4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(NN=C(N=C32)C4=CC=CS4)C5=CN=CC=C5

InChI

InChI=1S/C21H14N4S/c1-2-7-16-14(5-1)9-10-17-19(15-6-3-11-22-13-15)24-25-21(23-20(16)17)18-8-4-12-26-18/h1-13,24H