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

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C17H16FN5OS MolecularWeight: 357.405243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN5OS/c1-10(2)16(24)20-17(25)19-12-5-8-14-15(9-12)22-23(21-14)13-6-3-11(18)4-7-13/h3-10H,1-2H3,(H2,19,20,24,25)