1-[3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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