(4-methylsulfanylphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [4-(methylthio)benzyl] ester Formula: C17H15N3O2S MolecularWeight: 325.3849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H15N3O2S/c1-23-16-8-2-13(3-9-16)10-22-17(21)14-4-6-15(7-5-14)20-12-18-11-19-20/h2-9,11-12H,10H2,1H3