2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C4CCCCC4

InChI

InChI=1S/C22H28N4O3S/c1-2-11-26-21(16-7-4-3-5-8-16)24-25-22(26)30-15-20(27)23-17-9-10-18-19(14-17)29-13-6-12-28-18/h2,9-10,14,16H,1,3-8,11-13,15H2,(H,23,27)