N,N-dimethyl-4-(2-thiophen-2-yl-5H-benzo[g][1,3,5]benzotriazepin-4-yl)aniline

Systemtic Name: N,N-dimethyl-4-(2-thiophen-2-yl-5H-benzo[g][1,3,5]benzotriazepin-4-yl)aniline Openeye Name: N,N-dimethyl-4-[2-(2-thienyl)-5H-benzo[g][1,3,5]benzotriazepin-4-yl]aniline CAS Name: N,N-dimethyl-4-(2-thiophen-2-yl-5H-benzo[g][1,3,5]benzotriazepin-4-yl)aniline IUPAC Name: N,N-dimethyl-4-(2-thiophen-2-yl-5H-benzo[g][1,3,5]benzotriazepin-4-yl)aniline Traditional Name: dimethyl-[4-[2-(2-thienyl)-5H-benzo[g][1,3,5]benzotriazepin-4-yl]phenyl]amine Formula: C24H20N4S MolecularWeight: 396.5074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=CC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=CC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H20N4S/c1-28(2)18-12-9-17(10-13-18)23-25-20-14-11-16-6-3-4-7-19(16)22(20)26-24(27-23)21-8-5-15-29-21/h3-15H,1-2H3,(H,25,26,27)