N-[4-[(3-chloranyl-4-fluoranyl-phenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(3-chloro-4-fluoro-phenyl)methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[(3-chloro-4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(3-chloro-4-fluorophenyl)methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(3-chloro-4-fluoro-benzyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C17H13ClFN5OS2 MolecularWeight: 421.899423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NCC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NCC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H13ClFN5OS2/c18-13-7-10(1-6-14(13)19)8-20-17(26)22-12-4-2-11(3-5-12)21-16(25)15-9-27-24-23-15/h1-7,9H,8H2,(H,21,25)(H2,20,22,26)