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

Systemtic Name: 3-[4-methyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[4-(methylthio)phenyl]methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-5-[[4-(methylthio)benzyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C14H18N4OS2 MolecularWeight: 322.44892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)SC)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)SC)CCC(=O)N

InChI

InChI=1S/C14H18N4OS2/c1-18-13(8-7-12(15)19)16-17-14(18)21-9-10-3-5-11(20-2)6-4-10/h3-6H,7-9H2,1-2H3,(H2,15,19)