3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-phenylthieno[2,3-d]pyrimidin-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=C(C=C1)C2=CSC3=C2C(=NC=N3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

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