8-bromanyl-2-(3-chlorophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-bromanyl-2-(3-chlorophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-bromo-2-(3-chlorophenyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-bromo-2-(3-chlorophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-bromo-2-(3-chlorophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-bromo-2-(3-chlorophenyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C18H11BrClN3S MolecularWeight: 416.72204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrClN3S/c19-12-6-7-14-15(10-12)22-17(11-3-1-4-13(20)9-11)23-18(21-14)16-5-2-8-24-16/h1-10H,(H,21,22,23)