3-[4-cyclopropyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-cyclopropyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CC3)CCC(=O)N

InChI

InChI=1S/C16H20N4OS/c1-11-3-2-4-12(9-11)10-22-16-19-18-15(8-7-14(17)21)20(16)13-5-6-13/h2-4,9,13H,5-8,10H2,1H3,(H2,17,21)