N-[(5-chloranylthiophen-2-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(5-chloro-2-thienyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(5-chlorothiophen-2-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(5-chloro-2-thienyl)methyl]-4-keto-phthalazine-1-carboxamide Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=C(S4)Cl

InChI

InChI=1S/C21H16ClN3O2S/c22-18-11-10-15(28-18)12-23-20(26)19-16-8-4-5-9-17(16)21(27)25(24-19)13-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,23,26)