N-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-(5-chloranylthiophen-2-yl)-1,3-thiazol-2-yl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(5-chloro-2-thienyl)thiazol-2-yl]-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(5-chloro-2-thiophenyl)-2-thiazolyl]-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(5-chloro-2-thienyl)thiazol-2-yl]-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C22H21ClN4O2S2 MolecularWeight: 473.01074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(S4)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H21ClN4O2S2/c1-2-3-4-7-12-27-21(29)15-9-6-5-8-14(15)19(26-27)20(28)25-22-24-16(13-30-22)17-10-11-18(23)31-17/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,24,25,28)