3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(6-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=CC3=C(S2)N=CN=C3SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=CN=C3SCN4C(=O)C5=CC=CC=C5N=N4

InChI

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