2-[[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]methyl]indolizine-1-carbonitrile Formula: C25H15N5OS MolecularWeight: 433.4845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN4C=CC=CC4=C3C#N)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN4C=CC=CC4=C3C#N)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H15N5OS/c26-13-17-8-10-19(11-9-17)30-24(31)20-5-1-2-6-22(20)28-25(30)32-16-18-15-29-12-4-3-7-23(29)21(18)14-27/h1-12,15H,16H2