5-(4-methoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-methoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-isopropyl-5-(4-methoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-methoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-methoxyphenyl)-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-5-(4-methoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C22H21N3OS MolecularWeight: 375.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-14(2)16-8-11-19-18(13-16)21(15-6-9-17(26-3)10-7-15)24-25-22(23-19)20-5-4-12-27-20/h4-14,24H,1-3H3