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

Systemtic Name: methyl 4-[[3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate Openeye Name: methyl 4-[[3-(4-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate CAS Name: 4-[[3-(pyridin-4-ylmethylthio)-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate Traditional Name: 4-[[3-(4-pyridylmethylthio)-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester Formula: C16H15N5O2S MolecularWeight: 341.3876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=NN2)SCC3=CC=NC=C3

InChI

InChI=1S/C16H15N5O2S/c1-23-14(22)12-2-4-13(5-3-12)18-15-19-16(21-20-15)24-10-11-6-8-17-9-7-11/h2-9H,10H2,1H3,(H2,18,19,20,21)