4-[3-(1,3-thiazol-2-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid

Systemtic Name: 4-[3-(1,3-thiazol-2-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[3-thiazol-2-ylsulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[3-(2-thiazolylthio)-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[3-(1,3-thiazol-2-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[3-(thiazol-2-ylthio)-5-(2-thienyl)-1,2,4-triazol-4-yl]benzoic acid Formula: C16H10N4O2S3 MolecularWeight: 386.4712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)C(=O)O)SC4=NC=CS4

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2C3=CC=C(C=C3)C(=O)O)SC4=NC=CS4

InChI

InChI=1S/C16H10N4O2S3/c21-14(22)10-3-5-11(6-4-10)20-13(12-2-1-8-23-12)18-19-15(20)25-16-17-7-9-24-16/h1-9H,(H,21,22)