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

Systemtic Name: 3-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-chloro-2-thiophenyl)methyl-methylamino]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-1,2,3-benzotriazin-4-one Formula: C14H13ClN4OS MolecularWeight: 320.79722

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H13ClN4OS/c1-18(8-10-6-7-13(15)21-10)9-19-14(20)11-4-2-3-5-12(11)16-17-19/h2-7H,8-9H2,1H3