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

Systemtic Name: 3-[4-cyclopropyl-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[2-(3,5-dimethylphenoxy)ethylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[2-(3,5-dimethylphenoxy)ethylthio]-1,2,4-triazol-3-yl]propionamide Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C3CC3)CCC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C3CC3)CCC(=O)N)C

InChI

InChI=1S/C18H24N4O2S/c1-12-9-13(2)11-15(10-12)24-7-8-25-18-21-20-17(6-5-16(19)23)22(18)14-3-4-14/h9-11,14H,3-8H2,1-2H3,(H2,19,23)