2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(1-methyl-2-pyrrolyl)ethanone IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(1-methylpyrrol-2-yl)ethanone Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=CN3C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC=CN3C

InChI

InChI=1S/C16H22N4OS/c1-12-17-18-16(20(12)13-7-4-3-5-8-13)22-11-15(21)14-9-6-10-19(14)2/h6,9-10,13H,3-5,7-8,11H2,1-2H3