N-(3-cyano-4,5-diphenyl-furan-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(3-cyano-4,5-diphenyl-furan-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5-diphenyl-2-furyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3-cyano-4,5-diphenyl-2-furanyl)-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5-diphenyl-2-furyl)-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)SC4=NC=NC(=C4)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)SC4=NC=NC(=C4)C

InChI

InChI=1S/C26H22N4O2S/c1-3-21(33-22-14-17(2)28-16-29-22)25(31)30-26-20(15-27)23(18-10-6-4-7-11-18)24(32-26)19-12-8-5-9-13-19/h4-14,16,21H,3H2,1-2H3,(H,30,31)