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

Systemtic Name: 7-chloranyl-5-phenyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-phenyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-5-phenyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-5-phenyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-phenyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C18H12ClN3S MolecularWeight: 337.82598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)Cl

InChI

InChI=1S/C18H12ClN3S/c19-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)21-22-18(20-15)16-7-4-10-23-16/h1-11,21H