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

Systemtic Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide Openeye Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitro-benzamide CAS Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide Traditional Name: 2-methyl-3,5-dinitro-N-(5-o-anisyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H15N5O6S MolecularWeight: 429.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CC3=CC=CC=C3OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CC3=CC=CC=C3OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6S/c1-10-13(8-12(22(25)26)9-14(10)23(27)28)17(24)19-18-21-20-16(30-18)7-11-5-3-4-6-15(11)29-2/h3-6,8-9H,7H2,1-2H3,(H,19,21,24)