3-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C17H18ClN5OS MolecularWeight: 375.87572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H18ClN5OS/c18-16-6-5-13(25-16)11-21-7-9-22(10-8-21)12-23-17(24)14-3-1-2-4-15(14)19-20-23/h1-6H,7-12H2