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

Systemtic Name: 4-methyl-3-nitro-N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-methyl-3-nitro-N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-methyl-3-nitro-N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-methyl-3-nitro-N-[5-(4-nitrobenzyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H13N5O5S MolecularWeight: 399.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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