(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C20H26N2O2S3 MolecularWeight: 422.62764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NN(C(=S)S2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C20H26N2O2S3/c1-13(2)16-10-9-14(3)11-17(16)24-18(23)12-26-19-21-22(20(25)27-19)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3