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

Systemtic Name: 8-propan-2-yl-2-pyridin-3-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-isopropyl-2-(3-pyridyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-propan-2-yl-2-(3-pyridinyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-propan-2-yl-2-pyridin-3-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-isopropyl-2-(3-pyridyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C20H18N4S MolecularWeight: 346.44872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4S/c1-13(2)14-7-8-16-17(11-14)23-19(15-5-3-9-21-12-15)24-20(22-16)18-6-4-10-25-18/h3-13H,1-2H3,(H,22,23,24)