2-[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[3-[2-(4-chloro-1-pyrazolyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C21H17ClN6O4S MolecularWeight: 484.91548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CCN4C=C(C=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CCN4C=C(C=N4)Cl

InChI

InChI=1S/C21H17ClN6O4S/c22-14-11-23-26(12-14)8-9-27-20(30)17-6-1-2-7-18(17)25-21(27)33-13-19(29)24-15-4-3-5-16(10-15)28(31)32/h1-7,10-12H,8-9,13H2,(H,24,29)