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

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-2-nitro-benzamide Formula: C20H13FN6O3S MolecularWeight: 436.419023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H13FN6O3S/c21-12-5-8-14(9-6-12)26-24-16-10-7-13(11-17(16)25-26)22-20(31)23-19(28)15-3-1-2-4-18(15)27(29)30/h1-11H,(H2,22,23,28,31)