N-[3-[2-(2-hydroxyethylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-[2-(2-hydroxyethylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-[2-(2-hydroxyethylsulfanyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[2-(2-hydroxyethylthio)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-[2-(2-hydroxyethylsulfanyl)acetyl]-2,5-dimethylpyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-[2-(2-hydroxyethylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C(=O)CSCCO

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C(=O)CSCCO

InChI

InChI=1S/C20H22N4O4S/c1-12-10-16(17(26)11-29-9-8-25)13(2)24(12)22-19(27)18-14-6-4-5-7-15(14)20(28)23(3)21-18/h4-7,10,25H,8-9,11H2,1-3H3,(H,22,27)