2-[[5-cyclohexyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide

Systemtic Name: 2-[[5-cyclohexyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide Openeye Name: 2-[[5-cyclohexyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide CAS Name: 2-[[5-cyclohexyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylpropanamide IUPAC Name: 2-[[5-cyclohexyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide Traditional Name: 2-[[5-cyclohexyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-propionamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3OC)C4CCCCC4

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3OC)C4CCCCC4

InChI

InChI=1S/C25H30N4O2S/c1-18(24(30)28(2)20-14-8-5-9-15-20)32-25-27-26-23(19-12-6-4-7-13-19)29(25)21-16-10-11-17-22(21)31-3/h5,8-11,14-19H,4,6-7,12-13H2,1-3H3