2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C24H24N6O4S MolecularWeight: 492.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H24N6O4S/c1-16-13-17(2)29(27-16)12-6-11-28-23(32)20-9-3-4-10-21(20)26-24(28)35-15-22(31)25-18-7-5-8-19(14-18)30(33)34/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,25,31)