9-oxidanylidene-N'-[2-(phenylmethylsulfanyl)ethanoyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide

Systemtic Name: 9-oxidanylidene-N'-[2-(phenylmethylsulfanyl)ethanoyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide Openeye Name: N'-(2-benzylsulfanylacetyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide CAS Name: 9-oxo-N'-[1-oxo-2-(phenylmethylthio)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide IUPAC Name: N'-(2-benzylsulfanylacetyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide Traditional Name: N'-[2-(benzylthio)acetyl]-9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)CSCC4=CC=CC=C4)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)NNC(=O)CSCC4=CC=CC=C4)C(=O)N2C1

InChI

InChI=1S/C21H20N4O3S/c26-19(13-29-12-14-5-2-1-3-6-14)23-24-20(27)15-8-9-16-17(11-15)22-18-7-4-10-25(18)21(16)28/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,23,26)(H,24,27)