5-[(5Z)-5-(2-ethyl-3-propan-2-yl-1H-pyrazol-5-ylidene)pyrrol-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(5Z)-5-(2-ethyl-3-propan-2-yl-1H-pyrazol-5-ylidene)pyrrol-2-yl]thiophene-2-carboxylic acid Openeye Name: 5-[(5Z)-5-(2-ethyl-3-isopropyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]thiophene-2-carboxylic acid CAS Name: 5-[(5Z)-5-(2-ethyl-3-propan-2-yl-1H-pyrazol-5-ylidene)-2-pyrrolyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(5Z)-5-(2-ethyl-3-propan-2-yl-1H-pyrazol-5-ylidene)pyrrol-2-yl]thiophene-2-carboxylic acid Traditional Name: 5-[(5Z)-5-(1-ethyl-5-isopropyl-3-pyrazolin-3-ylidene)pyrrol-2-yl]-2-thenoic acid Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C2C=CC(=N2)C3=CC=C(S3)C(=O)O)N1)C(C)C

Isomeric SMILES

CCN1C(=C/C(=C/2\C=CC(=N2)C3=CC=C(S3)C(=O)O)/N1)C(C)C

InChI

InChI=1S/C17H19N3O2S/c1-4-20-14(10(2)3)9-13(19-20)11-5-6-12(18-11)15-7-8-16(23-15)17(21)22/h5-10,19H,4H2,1-3H3,(H,21,22)/b13-11-