2-[[5-[(4-butylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[[5-[(4-butylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[[5-(4-butylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[[5-(4-butylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[[5-(4-butylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[[5-(4-butylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furoic acid Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C(C=CO3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=C(C=CO3)C(=O)O

InChI

InChI=1S/C18H19N3O3S2/c1-2-3-4-12-5-7-13(8-6-12)19-17-20-21-18(26-17)25-11-15-14(16(22)23)9-10-24-15/h5-10H,2-4,11H2,1H3,(H,19,20)(H,22,23)