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

Systemtic Name: (E)-3-azanyl-2-[2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C(C)N)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)/C(=C(\C)/N)/C#N)Cl

InChI

InChI=1S/C21H17ClN4O2S/c1-12-7-8-14(9-17(12)22)26-20(28)15-5-3-4-6-18(15)25-21(26)29-11-19(27)16(10-23)13(2)24/h3-9H,11,24H2,1-2H3/b16-13+