3-[5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[2-(4-tert-butylphenoxy)ethylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[2-(4-tert-butylphenoxy)ethylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C20H28N4O2S/c1-20(2,3)14-4-8-16(9-5-14)26-12-13-27-19-23-22-18(11-10-17(21)25)24(19)15-6-7-15/h4-5,8-9,15H,6-7,10-13H2,1-3H3,(H2,21,25)