4-(7-bromanyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline

Systemtic Name: 4-(7-bromanyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline Openeye Name: 4-[7-bromo-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-(7-bromo-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline IUPAC Name: 4-(7-bromo-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline Traditional Name: [4-[7-bromo-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C20H17BrN4S MolecularWeight: 425.34478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)Br

InChI

InChI=1S/C20H17BrN4S/c1-25(2)15-8-5-13(6-9-15)19-16-12-14(21)7-10-17(16)22-20(24-23-19)18-4-3-11-26-18/h3-12,23H,1-2H3