methyl 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: methyl 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: methyl 2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]butyric acid methyl ester Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CCC(C(=O)OC)SC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C18H25N3O2S2/c1-3-15(17(22)23-2)25-18-20-19-16(12-14-10-7-11-24-14)21(18)13-8-5-4-6-9-13/h7,10-11,13,15H,3-6,8-9,12H2,1-2H3