N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methyl-phenyl]-2-methyl-3-nitro-benzamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC1=NN=C2N1N=C(S2)C3=CC(=C(C=C3)C)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N6O3S/c1-4-17-22-23-20-25(17)24-19(30-20)13-9-8-11(2)15(10-13)21-18(27)14-6-5-7-16(12(14)3)26(28)29/h5-10H,4H2,1-3H3,(H,21,27)