5-(4-naphthalen-2-ylphenyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-(4-naphthalen-2-ylphenyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-[4-(2-naphthyl)phenyl]-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 3-(3-mercapto-1-oxopropyl)-5-[4-(2-naphthalenyl)phenyl]-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-(4-naphthalen-2-ylphenyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 3-(3-mercaptopropanoyl)-5-[4-(2-naphthyl)phenyl]-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C4=NN(C(S4)C(=O)O)C(=O)CCS

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C4=NN(C(S4)C(=O)O)C(=O)CCS

InChI

InChI=1S/C22H18N2O3S2/c25-19(11-12-28)24-21(22(26)27)29-20(23-24)16-8-5-15(6-9-16)18-10-7-14-3-1-2-4-17(14)13-18/h1-10,13,21,28H,11-12H2,(H,26,27)