2-(2-cyanophenyl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

InChI

InChI=1S/C25H20N2O3S/c26-16-17-7-1-3-9-22(17)31-23-10-4-2-8-19(23)24(28)27-18-11-12-20-21(15-18)30-25(29-20)13-5-6-14-25/h1-4,7-12,15H,5-6,13-14H2,(H,27,28)