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

Systemtic Name: 2-methyl-3,5-dinitro-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-methyl-3,5-dinitro-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-methyl-3,5-dinitro-N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-methyl-3,5-dinitro-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-methyl-3,5-dinitro-N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H17N5O5S2 MolecularWeight: 459.49878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)SCCCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)SCCCC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S2/c1-12-15(10-14(23(26)27)11-16(12)24(28)29)17(25)20-18-21-22-19(31-18)30-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,20,21,25)