N'-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carbohydrazide

Systemtic Name: N'-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carbohydrazide Openeye Name: 3-benzyl-N'-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarbohydrazide IUPAC Name: 3-benzyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-4-oxophthalazine-1-carbohydrazide Traditional Name: 3-benzyl-4-keto-N'-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)phthalazine-1-carbohydrazide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c1-16-11-12-21-18(13-16)14-22(34-21)24(31)27-28-25(32)23-19-9-5-6-10-20(19)26(33)30(29-23)15-17-7-3-2-4-8-17/h2-10,14,16H,11-13,15H2,1H3,(H,27,31)(H,28,32)