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

Systemtic Name: 3-[4-cyclopropyl-5-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[(3,5-dimethylphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(3,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(3,5-dimethylbenzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-11-7-12(2)9-13(8-11)10-23-17-20-19-16(6-5-15(18)22)21(17)14-3-4-14/h7-9,14H,3-6,10H2,1-2H3,(H2,18,22)