(E)-3-azanyl-2-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-2-[2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-amino-but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-2-[2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-3-amino-but-2-enenitrile Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C)/N

InChI

InChI=1S/C17H15ClN4O2S/c1-3-6-22-16(24)12-7-11(18)4-5-14(12)21-17(22)25-9-15(23)13(8-19)10(2)20/h3-5,7H,1,6,9,20H2,2H3/b13-10+