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

Systemtic Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: 4-methyl-3-nitro-N-(5-o-anisyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-11-7-8-13(9-14(11)22(24)25)17(23)19-18-21-20-16(27-18)10-12-5-3-4-6-15(12)26-2/h3-9H,10H2,1-2H3,(H,19,21,23)