3-butyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(Z)-1-(5-methyl-2-thienyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(Z)-1-(5-methyl-2-thiophenyl)ethylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(Z)-1-(5-methyl-2-thienyl)ethylideneamino]phthalazine-1-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=C(S3)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(/C)\C3=CC=C(S3)C

InChI

InChI=1S/C20H22N4O2S/c1-4-5-12-24-20(26)16-9-7-6-8-15(16)18(23-24)19(25)22-21-14(3)17-11-10-13(2)27-17/h6-11H,4-5,12H2,1-3H3,(H,22,25)/b21-14-