2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(phenylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(phenylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(2-benzylpyrazol-3-yl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[2-(phenylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2-benzylpyrazol-3-yl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(2-benzylpyrazol-3-yl)nicotinamide Formula: C25H21N5O4S MolecularWeight: 487.53034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=CC=NN4CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=CC=NN4CC5=CC=CC=C5

InChI

InChI=1S/C25H21N5O4S/c31-23(28-18-8-9-20-21(13-18)34-16-33-20)15-35-25-19(7-4-11-26-25)24(32)29-22-10-12-27-30(22)14-17-5-2-1-3-6-17/h1-13H,14-16H2,(H,28,31)(H,29,32)