4-cyclopropyl-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-cyclopropyl-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthio]-5-(2-thenyl)-1,2,4-triazole Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CSC3=NN=C(N3C4CC4)CC5=CC=CS5

InChI

InChI=1S/C22H25N3O2S2/c1-3-26-19-10-15-9-14(2)27-20(15)11-16(19)13-29-22-24-23-21(25(22)17-6-7-17)12-18-5-4-8-28-18/h4-5,8,10-11,14,17H,3,6-7,9,12-13H2,1-2H3/t14-/m0/s1