4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)sulfanylcarbamoyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)sulfanylcarbamoyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)sulfanylcarbamoyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[oxo-[[(2-phenyl-5-benzotriazolyl)thio]amino]methyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(2-phenylbenzotriazol-5-yl)sulfanylcarbamoyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[[(2-phenylbenzotriazol-5-yl)thio]carbamoyl]benzamide Formula: C21H16N6O5S MolecularWeight: 464.45394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=O)NSC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=O)NSC2=CC3=NN(N=C3C=C2)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O5S/c1-32-19-10-7-13(11-18(19)27(30)31)20(28)22-21(29)25-33-15-8-9-16-17(12-15)24-26(23-16)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,25,28,29)