N'-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-2-carbohydrazide

Systemtic Name: N'-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-2-carbohydrazide Openeye Name: N'-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide CAS Name: N'-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1H-pyrrole-2-carbohydrazide IUPAC Name: N'-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-1H-pyrrole-2-carbohydrazide Traditional Name: N'-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]-1H-pyrrole-2-carbohydrazide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC=CN3

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC=CN3

InChI

InChI=1S/C20H23N5O3S/c1-13(2)9-11-25-19(28)14-6-3-4-7-15(14)22-20(25)29-12-17(26)23-24-18(27)16-8-5-10-21-16/h3-8,10,13,21H,9,11-12H2,1-2H3,(H,23,26)(H,24,27)