ethyl 2-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C16H14BrN3O3S2 MolecularWeight: 440.33466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(S2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(S2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN3O3S2/c1-2-22-14(21)12-6-7-23-13(12)9-24-16-20-19-15(25-16)18-11-5-3-4-10(17)8-11/h3-8H,2,9H2,1H3,(H,18,19)