(E)-3-azanyl-2-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]but-2-enenitrile Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C17H17ClN4O2S/c1-9(2)22-16(24)12-5-4-11(18)6-14(12)21-17(22)25-8-15(23)13(7-19)10(3)20/h4-6,9H,8,20H2,1-3H3/b13-10+