7-bromanyl-2-phenyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-2-phenyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-phenyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-phenyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-phenyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-phenyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C18H12BrN3S MolecularWeight: 382.27698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN3S/c19-13-8-9-15-14(11-13)17(16-7-4-10-23-16)21-22-18(20-15)12-5-2-1-3-6-12/h1-11,21H