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

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-(5-p-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=CC(=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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