2-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[4-[5-(3-cyano-4-isopropoxy-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]cyclopropanecarboxylic acid CAS Name: 2-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylphenyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[4-[5-(3-cyano-4-isopropoxy-phenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-phenyl]cyclopropanecarboxylic acid Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CC2C(=O)O)C3=NN=C(S3)C4=CC(=C(C=C4)OC(C)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C2CC2C(=O)O)C3=NN=C(S3)C4=CC(=C(C=C4)OC(C)C)C#N

InChI

InChI=1S/C23H21N3O3S/c1-12(2)29-20-7-5-15(9-16(20)11-24)21-25-26-22(30-21)17-6-4-14(8-13(17)3)18-10-19(18)23(27)28/h4-9,12,18-19H,10H2,1-3H3,(H,27,28)