2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxylate CAS Name: 2-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4-thiazolecarboxylate IUPAC Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxylate Formula: C18H12N5O2S2- MolecularWeight: 394.45018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)[O-])C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C18H13N5O2S2/c24-17(25)14-10-26-15(20-14)11-27-18-22-21-16(12-6-8-19-9-7-12)23(18)13-4-2-1-3-5-13/h1-10H,11H2,(H,24,25)/p-1