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

Systemtic Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=NN4

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=NN4

InChI

InChI=1S/C16H18N4O3S/c21-14(9-24-15-17-10-18-20-15)19-11-4-5-12-13(8-11)23-16(22-12)6-2-1-3-7-16/h4-5,8,10H,1-3,6-7,9H2,(H,19,21)(H,17,18,20)