4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-oxidanyl-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)furan-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-oxidanyl-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)furan-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-2-(4-isopropoxyphenyl)-5-oxo-3-furyl]methyl]benzonitrile CAS Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-5-oxo-2-(4-propan-2-yloxyphenyl)-3-furanyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-5-oxo-2-(4-propan-2-yloxyphenyl)furan-3-yl]methyl]benzonitrile Traditional Name: 4-[[2-hydroxy-2-(4-isopropoxyphenyl)-5-keto-4-piazthiol-5-yl-3-furyl]methyl]benzonitrile Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=C(C=C5)C#N)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=C(C=C5)C#N)O

InChI

InChI=1S/C27H21N3O4S/c1-16(2)33-21-10-8-20(9-11-21)27(32)22(13-17-3-5-18(15-28)6-4-17)25(26(31)34-27)19-7-12-23-24(14-19)30-35-29-23/h3-12,14,16,32H,13H2,1-2H3