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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-[(4-isopropylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[5-[(4-isopropylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N4O2S4 MolecularWeight: 490.68498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H22N4O2S4/c1-4-27-19(26)17-16(15(9-22)18(23)30-17)11-29-21-25-24-20(31-21)28-10-13-5-7-14(8-6-13)12(2)3/h5-8,12H,4,10-11,23H2,1-3H3