4-methyl-3-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]benzoic acid Formula: C12H13N5O3S MolecularWeight: 307.32832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NN=NN2C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NN=NN2C

InChI

InChI=1S/C12H13N5O3S/c1-7-3-4-8(11(19)20)5-9(7)13-10(18)6-21-12-14-15-16-17(12)2/h3-5H,6H2,1-2H3,(H,13,18)(H,19,20)