3-[3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)O

InChI

InChI=1S/C23H30N4O3S2/c1-15-12-16(23(2,3)4)7-8-18(15)30-13-17(28)14-32-22-26-25-21(19-6-5-11-31-19)27(22)10-9-20(24)29/h5-8,11-12,17,28H,9-10,13-14H2,1-4H3,(H2,24,29)