2-[[5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[5-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-[[2-keto-2-(2-naphthyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C22H15N3O4S2 MolecularWeight: 449.5022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H15N3O4S2/c26-18(15-10-9-13-5-1-2-6-14(13)11-15)12-30-22-25-24-21(31-22)23-19(27)16-7-3-4-8-17(16)20(28)29/h1-11H,12H2,(H,28,29)(H,23,24,27)