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

Systemtic Name: 3,5-dinitro-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,5-dinitro-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,5-dinitro-N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,5-dinitro-N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H15N5O5S2 MolecularWeight: 445.4722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S2/c24-16(13-9-14(22(25)26)11-15(10-13)23(27)28)19-17-20-21-18(30-17)29-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,19,20,24)