2-(4-bromophenyl)-7-ethyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=CS4

InChI

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