2-(1,3-benzodioxol-5-yl)-3-phenyl-pyrido[3,2-f][1,4]thiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-phenyl-pyrido[3,2-f][1,4]thiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-phenyl-pyrido[3,2-f][1,4]thiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-3-phenylpyrido[3,2-f][1,4]thiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-phenylpyrido[3,2-f][1,4]thiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-phenyl-pyrido[3,2-f][1,4]thiazepine Formula: C21H14N2O2S MolecularWeight: 358.41306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N=CC4=C(S3)N=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N=CC4=C(S3)N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H14N2O2S/c1-2-5-14(6-3-1)19-20(15-8-9-17-18(11-15)25-13-24-17)26-21-16(12-23-19)7-4-10-22-21/h1-12H,13H2