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

Systemtic Name: methyl 4-[[3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]amino]benzoate Openeye Name: methyl 4-[[3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]amino]benzoate CAS Name: 4-[[3-[(2-methoxyphenyl)methylthio]-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]amino]benzoate Traditional Name: 4-[[3-(o-anisylthio)-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O3S/c1-24-15-6-4-3-5-13(15)11-26-18-20-17(21-22-18)19-14-9-7-12(8-10-14)16(23)25-2/h3-10H,11H2,1-2H3,(H2,19,20,21,22)