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

Systemtic Name: 3-[4-cyclopropyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(2-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=C1CSC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3CC3)CCC(=O)N

InChI

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