methyl 5-[[5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(4-isopropylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-cumidino-1,3,4-thiadiazol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C18H19N3O3S2/c1-11(2)12-4-6-13(7-5-12)19-17-20-21-18(26-17)25-10-14-8-9-15(24-14)16(22)23-3/h4-9,11H,10H2,1-3H3,(H,19,20)