4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-methyl-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C13H13N4O3S- MolecularWeight: 305.33232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NN=CN2C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)CSC2=NN=CN2C

InChI

InChI=1S/C13H14N4O3S/c1-8-3-4-9(12(19)20)5-10(8)15-11(18)6-21-13-16-14-7-17(13)2/h3-5,7H,6H2,1-2H3,(H,15,18)(H,19,20)/p-1