1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C(C)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C(C)C

InChI

InChI=1S/C18H23N3O3S/c1-4-7-21-17(12(2)3)19-20-18(21)25-11-14(22)13-5-6-15-16(10-13)24-9-8-23-15/h5-6,10,12H,4,7-9,11H2,1-3H3