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

Systemtic Name: N-cyclohexyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-isopropyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H30N4O3S/c1-15(2)26-21(16-9-10-18-19(13-16)29-12-6-11-28-18)24-25-22(26)30-14-20(27)23-17-7-4-3-5-8-17/h9-10,13,15,17H,3-8,11-12,14H2,1-2H3,(H,23,27)