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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-(2,4-dimethoxyphenyl)ethanone Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2N)C3CCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2N)C3CCCCC3)OC

InChI

InChI=1S/C18H24N4O3S/c1-24-13-8-9-14(16(10-13)25-2)15(23)11-26-18-21-20-17(22(18)19)12-6-4-3-5-7-12/h8-10,12H,3-7,11,19H2,1-2H3