N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C21H15FN6O3S MolecularWeight: 450.445603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN6O3S/c1-12-16(3-2-4-19(12)28(30)31)20(29)24-21(32)23-14-7-10-17-18(11-14)26-27(25-17)15-8-5-13(22)6-9-15/h2-11H,1H3,(H2,23,24,29,32)