N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-thiochroman-4-yl-phthalazine-1-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-thiochroman-4-yl-phthalazine-1-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H21N3O2S/c1-2-12-24-21(26)15-8-4-3-7-14(15)19(23-24)20(25)22-17-11-13-27-18-10-6-5-9-16(17)18/h3-10,17H,2,11-13H2,1H3,(H,22,25)