2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]ethanamide Openeye Name: N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-(1-methyl-2-pyrrolyl)methylideneamino]acetamide IUPAC Name: 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide Traditional Name: 2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CN4C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC=CN4C

InChI

InChI=1S/C23H21N5O2S/c1-16-8-3-6-12-20(16)28-22(30)18-10-4-5-11-19(18)25-23(28)31-15-21(29)26-24-14-17-9-7-13-27(17)2/h3-14H,15H2,1-2H3,(H,26,29)/b24-14+