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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-ethanone Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C20H21N3O2S2/c1-2-25-16-9-5-14(6-10-16)18(24)13-27-20-22-21-19(23(20)15-7-8-15)12-17-4-3-11-26-17/h3-6,9-11,15H,2,7-8,12-13H2,1H3