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

Systemtic Name: (E)-3-azanyl-2-[2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-13-7-9-15(10-8-13)25-20(27)16-5-3-4-6-18(16)24-21(25)28-12-19(26)17(11-22)14(2)23/h3-10H,12,23H2,1-2H3/b17-14+