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

Systemtic Name: ethyl 2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[5-[(4-isopropylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-[(4-isopropylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H22N2O3S3/c1-4-24-18(23)16-9-10-25-17(16)12-27-20-22-21-19(28-20)26-11-14-5-7-15(8-6-14)13(2)3/h5-10,13H,4,11-12H2,1-3H3