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

Systemtic Name: 3-[4-cyclopropyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[(2,5-dimethylphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(2,5-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(=C(C=C1)C)CSC2=NN=C(N2C3CC3)CCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-11-3-4-12(2)13(9-11)10-23-17-20-19-16(8-7-15(18)22)21(17)14-5-6-14/h3-4,9,14H,5-8,10H2,1-2H3,(H2,18,22)