N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C18H16N4O3S/c1-22-18(25)12-7-3-2-6-11(12)16(21-22)17(24)20-13-8-4-5-9-14(13)26-10-15(19)23/h2-9H,10H2,1H3,(H2,19,23)(H,20,24)