5-[3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propyl]-2-thenoic acid Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C18H16N2O3S2/c21-16-11-14(12-5-2-1-3-6-12)19-18(20-16)24-10-4-7-13-8-9-15(25-13)17(22)23/h1-3,5-6,8-9,11H,4,7,10H2,(H,22,23)(H,19,20,21)