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

Systemtic Name: 3,5-dinitro-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Formula: C17H13N5O5S2 MolecularWeight: 431.44562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5S2/c23-16(12-6-13(21(24)25)8-14(7-12)22(26)27)18-17-20-19-15(29-17)10-28-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,20,23)