N-[2H-benzotriazol-5-yl-(4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[2H-benzotriazol-5-yl-(4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[2H-benzotriazol-5-yl-(4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[N-(2H-benzotriazol-5-yl)-4-fluoroanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[2H-benzotriazol-5-yl-(4-fluorophenyl)carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[2H-benzotriazol-5-yl-(4-fluorophenyl)thiocarbamoyl]thiophene-2-carboxamide Formula: C18H12FN5OS2 MolecularWeight: 397.449183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC(=S)N(C2=CC=C(C=C2)F)C3=CC4=NNN=C4C=C3

Isomeric SMILES

C1=CSC(=C1)C(=O)NC(=S)N(C2=CC=C(C=C2)F)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C18H12FN5OS2/c19-11-3-5-12(6-4-11)24(13-7-8-14-15(10-13)22-23-21-14)18(26)20-17(25)16-2-1-9-27-16/h1-10H,(H,20,25,26)(H,21,22,23)