2-nitro-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-nitro-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-nitro-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-nitro-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-nitro-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-(5-mesityl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NN=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H16N4O3S/c1-10-8-11(2)15(12(3)9-10)17-20-21-18(26-17)19-16(23)13-6-4-5-7-14(13)22(24)25/h4-9H,1-3H3,(H,19,21,23)