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

Systemtic Name: 3-butyl-N-[(E)-1-(5-chloranylthiophen-2-yl)ethylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-1-(5-chloro-2-thienyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-1-(5-chloro-2-thiophenyl)ethylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(E)-1-(5-chloro-2-thienyl)ethylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C19H19ClN4O2S MolecularWeight: 402.89776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O2S/c1-3-4-11-24-19(26)14-8-6-5-7-13(14)17(23-24)18(25)22-21-12(2)15-9-10-16(20)27-15/h5-10H,3-4,11H2,1-2H3,(H,22,25)/b21-12+