2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H21N3O3S/c22-14(13-6-7-15-16(10-13)24-9-3-8-23-15)11-25-18-19-17(20-21-18)12-4-1-2-5-12/h6-7,10,12H,1-5,8-9,11H2,(H,19,20,21)