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

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H26N4O3S/c1-14-22-23-20(24(14)16-6-3-2-4-7-16)28-13-19(25)21-15-8-9-17-18(12-15)27-11-5-10-26-17/h8-9,12,16H,2-7,10-11,13H2,1H3,(H,21,25)