3,5-dinitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,5-dinitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-dinitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,5-dinitro-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,5-dinitro-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H11N5O5S2 MolecularWeight: 417.41904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5S2/c22-15(10-6-11(20(23)24)8-12(7-10)21(25)26)17-16-19-18-14(28-16)9-27-13-4-2-1-3-5-13/h1-8H,9H2,(H,17,19,22)