3-[(2-thiophen-2-ylquinazolin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(2-thiophen-2-ylquinazolin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[2-(2-thienyl)quinazolin-4-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(2-thiophen-2-yl-4-quinazolinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2-thiophen-2-ylquinazolin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[2-(2-thienyl)quinazolin-4-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H13N5OS2 MolecularWeight: 403.48012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H13N5OS2/c26-20-14-7-2-4-9-16(14)23-24-25(20)12-28-19-13-6-1-3-8-15(13)21-18(22-19)17-10-5-11-27-17/h1-11H,12H2