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

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CSC5=NC=NN5

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CSC5=NC=NN5

InChI

InChI=1S/C22H22N4O3S/c27-20(16-6-4-15(5-7-16)13-30-21-23-14-24-26-21)25-17-8-9-18-19(12-17)29-22(28-18)10-2-1-3-11-22/h4-9,12,14H,1-3,10-11,13H2,(H,25,27)(H,23,24,26)