N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]propanamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]propionamide Formula: C16H14FN5OS MolecularWeight: 343.378663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN5OS/c1-2-15(23)19-16(24)18-11-5-8-13-14(9-11)21-22(20-13)12-6-3-10(17)4-7-12/h3-9H,2H2,1H3,(H2,18,19,23,24)