3-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-isopropylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[(4-propan-2-ylphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-isopropylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C16H22N4OS/c1-11(2)13-6-4-12(5-7-13)10-22-16-19-18-15(20(16)3)9-8-14(17)21/h4-7,11H,8-10H2,1-3H3,(H2,17,21)