methyl 5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NN=C(N2C3CCCCC3)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NN=C(N2C3CCCCC3)C

InChI

InChI=1S/C20H28N4O3S/c1-11-16(19(26)27-5)12(2)21-17(11)18(25)13(3)28-20-23-22-14(4)24(20)15-9-7-6-8-10-15/h13,15,21H,6-10H2,1-5H3