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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5)OC1

InChI

InChI=1S/C20H19N3O3S2/c24-15(13-4-7-16-17(11-13)26-9-2-8-25-16)12-28-20-22-21-19(18-3-1-10-27-18)23(20)14-5-6-14/h1,3-4,7,10-11,14H,2,5-6,8-9,12H2