N-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]pyridin-3-yl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[6-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]pyridin-3-yl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[6-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]-3-pyridyl]thiadiazole-4-carboxamide CAS Name: N-[6-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]-3-pyridinyl]-4-thiadiazolecarboxamide IUPAC Name: N-[6-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]pyridin-3-yl]thiadiazole-4-carboxamide Traditional Name: N-[6-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]-3-pyridyl]thiadiazole-4-carboxamide Formula: C17H15ClN6O3S2 MolecularWeight: 450.9224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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