2-[[5-(4-methoxyphenyl)-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-ethanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]thio]-N,N-dimethylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide Traditional Name: 2-[[5-(4-methoxyphenyl)-4-[(1R,2S)-2-methylcyclohexyl]-1,2,4-triazol-3-yl]thio]-N,N-dimethyl-acetamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NN=C2SCC(=O)N(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)N(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H28N4O2S/c1-14-7-5-6-8-17(14)24-19(15-9-11-16(26-4)12-10-15)21-22-20(24)27-13-18(25)23(2)3/h9-12,14,17H,5-8,13H2,1-4H3/t14-,17+/m0/s1