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

Systemtic Name: 3-[5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[2-(3,5-dimethylphenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[2-(3,5-dimethylphenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C)CCC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C)CCC(=O)N)C

InChI

InChI=1S/C16H22N4O2S/c1-11-8-12(2)10-13(9-11)22-6-7-23-16-19-18-15(20(16)3)5-4-14(17)21/h8-10H,4-7H2,1-3H3,(H2,17,21)