5-azanyl-4-cyano-3-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-azanyl-4-cyano-3-[[5-[(4-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-amino-4-cyano-3-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-amino-4-cyano-3-[[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-amino-4-cyano-3-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-amino-4-cyano-3-[[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thenoic acid Formula: C17H15N5O2S3 MolecularWeight: 417.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C(SC(=C3C#N)N)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C(SC(=C3C#N)N)C(=O)O

InChI

InChI=1S/C17H15N5O2S3/c1-2-9-3-5-10(6-4-9)20-16-21-22-17(27-16)25-8-12-11(7-18)14(19)26-13(12)15(23)24/h3-6H,2,8,19H2,1H3,(H,20,21)(H,23,24)