N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-[3-cyano-4-methyl-5-(phenylmethyl)-1H-pyrrol-2-yl]-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-keto-1H-quinazolin-2-yl)thio]acetamide Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C#N)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C23H19N5O2S/c1-14-17(12-24)21(25-19(14)11-15-7-3-2-4-8-15)27-20(29)13-31-23-26-18-10-6-5-9-16(18)22(30)28-23/h2-10,25H,11,13H2,1H3,(H,27,29)(H,26,28,30)