3-methyl-N-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(R)-p-tolyl(2-thienyl)methyl]phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(R)-p-tolyl(2-thienyl)methyl]phthalazine-1-carboxamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H19N3O2S/c1-14-9-11-15(12-10-14)19(18-8-5-13-28-18)23-21(26)20-16-6-3-4-7-17(16)22(27)25(2)24-20/h3-13,19H,1-2H3,(H,23,26)/t19-/m1/s1