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

Systemtic Name: 3-[4-cyclopropyl-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[(2-methoxy-5-methylphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(2-methoxy-5-methyl-benzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-11-3-6-14(23-2)12(9-11)10-24-17-20-19-16(8-7-15(18)22)21(17)13-4-5-13/h3,6,9,13H,4-5,7-8,10H2,1-2H3,(H2,18,22)