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

Systemtic Name: 2-(4-bromophenyl)-7-chloranyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-chloro-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-chloro-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-chloro-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-chloro-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C18H11BrClN3S MolecularWeight: 416.72204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1=CSC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)Cl

InChI

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