N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CSC5=NC=NN5

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CSC5=NC=NN5

InChI

InChI=1S/C21H20N4O3S/c26-19(15-5-3-14(4-6-15)12-29-20-22-13-23-25-20)24-16-7-8-17-18(11-16)28-21(27-17)9-1-2-10-21/h3-8,11,13H,1-2,9-10,12H2,(H,24,26)(H,22,23,25)