2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)ethanone

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-p-phenetyl-ethanone Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C18H21N3O2S/c1-2-23-15-9-5-12(6-10-15)16(22)11-24-18-20-19-17(13-3-4-13)21(18)14-7-8-14/h5-6,9-10,13-14H,2-4,7-8,11H2,1H3