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

Systemtic Name: 2-methyl-3,5-dinitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methyl-3,5-dinitro-benzamide CAS Name: 2-methyl-3,5-dinitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methyl-3,5-dinitrobenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methyl-3,5-dinitro-benzamide Formula: C17H13N5O5S MolecularWeight: 399.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5S/c1-10-13(8-12(21(24)25)9-14(10)22(26)27)16(23)18-17-20-19-15(28-17)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,18,20,23)