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

Systemtic Name: 4-nitro-N-[(2-phenylbenzotriazol-5-yl)sulfanylcarbamoyl]benzamide Openeye Name: 4-nitro-N-[(2-phenylbenzotriazol-5-yl)sulfanylcarbamoyl]benzamide CAS Name: 4-nitro-N-[oxo-[[(2-phenyl-5-benzotriazolyl)thio]amino]methyl]benzamide IUPAC Name: 4-nitro-N-[(2-phenylbenzotriazol-5-yl)sulfanylcarbamoyl]benzamide Traditional Name: 4-nitro-N-[[(2-phenylbenzotriazol-5-yl)thio]carbamoyl]benzamide Formula: C20H14N6O4S MolecularWeight: 434.42796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)SNC(=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)SNC(=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O4S/c27-19(13-6-8-15(9-7-13)26(29)30)21-20(28)24-31-16-10-11-17-18(12-16)23-25(22-17)14-4-2-1-3-5-14/h1-12H,(H2,21,24,27,28)