4-(1,3-benzothiazol-2-ylmethyl)-2H-phthalazin-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-2H-phthalazin-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-2H-phthalazin-1-one CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-2H-phthalazin-1-one IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-2H-phthalazin-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-2H-phthalazin-1-one Formula: C16H11N3OS MolecularWeight: 293.34304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H11N3OS/c20-16-11-6-2-1-5-10(11)13(18-19-16)9-15-17-12-7-3-4-8-14(12)21-15/h1-8H,9H2,(H,19,20)