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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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