methyl 4-[[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]amino]benzoate

Systemtic Name: methyl 4-[[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]amino]benzoate Openeye Name: methyl 4-[[3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate CAS Name: 4-[[3-[(2-methylphenyl)methylthio]-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]amino]benzoate Traditional Name: 4-[[3-[(2-methylbenzyl)thio]-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O2S/c1-12-5-3-4-6-14(12)11-25-18-20-17(21-22-18)19-15-9-7-13(8-10-15)16(23)24-2/h3-10H,11H2,1-2H3,(H2,19,20,21,22)