7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-methoxy-5-[4-(4-methoxyphenyl)phenyl]-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=CS5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=CS5)OC

InChI

InChI=1S/C26H21N3O2S/c1-30-20-11-9-18(10-12-20)17-5-7-19(8-6-17)25-22-16-21(31-2)13-14-23(22)27-26(29-28-25)24-4-3-15-32-24/h3-16,28H,1-2H3