N-tert-butyl-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-tert-butyl-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-tert-butyl-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-tert-butyl-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-tert-butyl-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-tert-butyl-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H34N4O3S MolecularWeight: 446.60606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H34N4O3S/c1-15(21(28)24-23(2,3)4)31-22-26-25-20(27(22)17-10-8-7-9-11-17)16-12-13-18(29-5)19(14-16)30-6/h12-15,17H,7-11H2,1-6H3,(H,24,28)