2-[[5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(4-isopropylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(5-cumidino-1,3,4-thiadiazol-2-yl)thio]ethyl ester Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-14(2)15-8-10-17(11-9-15)21-19-22-23-20(27-19)26-13-12-25-18(24)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,21,22)