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

Systemtic Name: methyl 4-[[3-(cyclohexylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate Openeye Name: methyl 4-[[3-(cyclohexylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate CAS Name: 4-[[3-(cyclohexylmethylthio)-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(cyclohexylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate Traditional Name: 4-[[3-(cyclohexylmethylthio)-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=NN2)SCC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=NN2)SCC3CCCCC3

InChI

InChI=1S/C17H22N4O2S/c1-23-15(22)13-7-9-14(10-8-13)18-16-19-17(21-20-16)24-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H2,18,19,20,21)