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

Systemtic Name: 8-methoxy-2-[4-(4-methoxyphenyl)phenyl]-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-methoxy-2-[4-(4-methoxyphenyl)phenyl]-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-methoxy-2-[4-(4-methoxyphenyl)phenyl]-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-methoxy-2-[4-(4-methoxyphenyl)phenyl]-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-methoxy-2-[4-(4-methoxyphenyl)phenyl]-4-(2-thienyl)-1H-1,3,5-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=NC(=NC4=C(N3)C=C(C=C4)OC)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=C(N3)C=C(C=C4)OC)C5=CC=CS5

InChI

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