3-[3-oxidanylidene-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[3-oxidanylidene-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[3-oxo-3-[2-(3-thienyl)pyrrolidin-1-yl]propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[3-oxo-3-[2-(3-thiophenyl)-1-pyrrolidinyl]propyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[3-keto-3-[2-(3-thienyl)pyrrolidino]propyl]-1,2,3-benzotriazin-4-one Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C4=CSC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C4=CSC=C4

InChI

InChI=1S/C18H18N4O2S/c23-17(21-9-3-6-16(21)13-8-11-25-12-13)7-10-22-18(24)14-4-1-2-5-15(14)19-20-22/h1-2,4-5,8,11-12,16H,3,6-7,9-10H2