methyl 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O2S/c1-13-19-20-18(21(13)16-6-4-3-5-7-16)24-12-14-8-10-15(11-9-14)17(22)23-2/h3-11H,12H2,1-2H3