4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-3H-phthalazine-1-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-(phenylmethylthio)ethyl]-3H-phthalazine-1-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17N3O2S/c22-17-15-9-5-4-8-14(15)16(20-21-17)18(23)19-10-11-24-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,23)(H,21,22)