3-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 3-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate Formula: C18H16N3O2S2- MolecularWeight: 370.46854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C18H17N3O2S2/c1-11-5-3-8-15(12(11)2)19-17-20-21-18(25-17)24-10-13-6-4-7-14(9-13)16(22)23/h3-9H,10H2,1-2H3,(H,19,20)(H,22,23)/p-1