8-bromanyl-2,4-dithiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-bromanyl-2,4-dithiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-bromo-2,4-bis(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-bromo-2,4-dithiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-bromo-2,4-dithiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-bromo-2,4-bis(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C16H10BrN3S2 MolecularWeight: 388.3047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

C1=CSC(=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C16H10BrN3S2/c17-10-5-6-11-12(9-10)19-16(14-4-2-8-22-14)20-15(18-11)13-3-1-7-21-13/h1-9H,(H,18,19,20)