3-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[4-(2-thienylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-[4-(2-thenyl)piperazino]ethyl]-1,2,3-benzotriazin-4-one Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CS4

InChI

InChI=1S/C18H21N5OS/c24-18-16-5-1-2-6-17(16)19-20-23(18)12-11-21-7-9-22(10-8-21)14-15-4-3-13-25-15/h1-6,13H,7-12,14H2