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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-oxo-2-[4-(3-thienylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazinyl]ethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-keto-2-[4-(3-thenyl)piperazino]ethyl]-1,2,3-benzotriazin-4-one Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H19N5O2S/c24-17(12-23-18(25)15-3-1-2-4-16(15)19-20-23)22-8-6-21(7-9-22)11-14-5-10-26-13-14/h1-5,10,13H,6-9,11-12H2