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

Systemtic Name: methyl 4-[[3-(3-methylbut-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate Openeye Name: methyl 4-[[3-(3-methylbut-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate CAS Name: 4-[[3-(3-methylbut-2-enylthio)-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methylbut-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]benzoate Traditional Name: 4-[[3-(3-methylbut-2-enylthio)-1H-1,2,4-triazol-5-yl]amino]benzoic acid methyl ester Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NNC(=N1)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC(=CCSC1=NNC(=N1)NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C15H18N4O2S/c1-10(2)8-9-22-15-17-14(18-19-15)16-12-6-4-11(5-7-12)13(20)21-3/h4-8H,9H2,1-3H3,(H2,16,17,18,19)