N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)CC4=CC=CO4)C

InChI

InChI=1S/C25H23N5O3S/c1-4-11-29-24(32)19-9-5-6-10-21(19)27-25(29)34-15-22(31)28-23-20(13-26)16(2)17(3)30(23)14-18-8-7-12-33-18/h4-10,12H,1,11,14-15H2,2-3H3,(H,28,31)