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

Systemtic Name: 3-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: 3-methyl-4-nitro-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-methyl-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N4O3S2/c1-11-3-5-13(6-4-11)10-26-18-21-20-17(27-18)19-16(23)14-7-8-15(22(24)25)12(2)9-14/h3-9H,10H2,1-2H3,(H,19,20,23)