4-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-benzoate

Systemtic Name: 4-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-3-methyl-benzoate Openeye Name: 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]-3-methylbenzoate IUPAC Name: 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-3-methyl-benzoate Formula: C12H11N4O3S2- MolecularWeight: 323.37074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C12H12N4O3S2/c1-6-4-7(10(18)19)2-3-8(6)14-9(17)5-20-12-16-15-11(13)21-12/h2-4H,5H2,1H3,(H2,13,15)(H,14,17)(H,18,19)/p-1