N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]pyridin-3-yl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]pyridin-3-yl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-3-pyridyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-3-pyridinyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]pyridin-3-yl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-3-pyridyl]thiadiazole-4-carboxamide Formula: C17H15ClN6O3S2 MolecularWeight: 450.9224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=C(C=NC=C2)NC(=O)C3=CSN=N3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=C(C=NC=C2)NC(=O)C3=CSN=N3)Cl)OC

InChI

InChI=1S/C17H15ClN6O3S2/c1-26-14-6-15(27-2)11(5-9(14)18)22-17(28)21-10-3-4-19-7-12(10)20-16(25)13-8-29-24-23-13/h3-8H,1-2H3,(H,20,25)(H2,19,21,22,28)