3-butyl-4-oxidanylidene-N-[(E)-thiophen-3-ylmethylideneamino]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[(E)-thiophen-3-ylmethylideneamino]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[(E)-3-thienylmethyleneamino]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[(E)-3-thiophenylmethylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[(E)-thiophen-3-ylmethylideneamino]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(E)-3-thenylideneamino]phthalazine-1-carboxamide Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c1-2-3-9-22-18(24)15-7-5-4-6-14(15)16(21-22)17(23)20-19-11-13-8-10-25-12-13/h4-8,10-12H,2-3,9H2,1H3,(H,20,23)/b19-11+