2-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C17H16ClN5OS MolecularWeight: 373.85984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C17H16ClN5OS/c1-12-14(18)11-22(21-12)8-4-9-23-16(24)13-5-2-3-6-15(13)20-17(23)25-10-7-19/h2-3,5-6,11H,4,8-10H2,1H3