2-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[6-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[6-chloro-4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]acetonitrile Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC#N

InChI

InChI=1S/C20H18ClN3OS/c1-3-13(2)14-4-7-16(8-5-14)24-19(25)17-12-15(21)6-9-18(17)23-20(24)26-11-10-22/h4-9,12-13H,3,11H2,1-2H3/t13-/m0/s1