2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-5-[(E)-prop-1-enyl]pyridine-3-carboxylic acid

Systemtic Name: 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-5-[(E)-prop-1-enyl]pyridine-3-carboxylic acid Openeye Name: 2-(4-isopropyl-4-methyl-5-thioxo-1H-imidazol-2-yl)-5-[(E)-prop-1-enyl]pyridine-3-carboxylic acid CAS Name: 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-5-[(E)-prop-1-enyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methyl-4-propan-2-yl-5-sulfanylidene-1H-imidazol-2-yl)-5-[(E)-prop-1-enyl]pyridine-3-carboxylic acid Traditional Name: 2-(4-isopropyl-4-methyl-5-thioxo-2-imidazolin-2-yl)-5-[(E)-prop-1-enyl]nicotinic acid Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(N=C1)C2=NC(C(=S)N2)(C)C(C)C)C(=O)O

Isomeric SMILES

C/C=C/C1=CC(=C(N=C1)C2=NC(C(=S)N2)(C)C(C)C)C(=O)O

InChI

InChI=1S/C16H19N3O2S/c1-5-6-10-7-11(14(20)21)12(17-8-10)13-18-15(22)16(4,19-13)9(2)3/h5-9H,1-4H3,(H,20,21)(H,18,19,22)/b6-5+