N-[5-chloranyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[5-chloranyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H19ClN6O2S MolecularWeight: 454.93256

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)SC4=NN=CN4C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)Cl)SC4=NN=CN4C

InChI

InChI=1S/C21H19ClN6O2S/c1-3-10-28-20(30)15-7-5-4-6-14(15)18(26-28)19(29)24-16-11-13(22)8-9-17(16)31-21-25-23-12-27(21)2/h4-9,11-12H,3,10H2,1-2H3,(H,24,29)