7-bromanyl-2-(4-ethylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-2-(4-ethylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-ethylphenyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-ethylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-ethylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-(4-ethylphenyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C20H16BrN3S MolecularWeight: 410.33014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=CS4

InChI

InChI=1S/C20H16BrN3S/c1-2-13-5-7-14(8-6-13)20-22-17-10-9-15(21)12-16(17)19(23-24-20)18-4-3-11-25-18/h3-12,23H,2H2,1H3