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

Systemtic Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-(methylthio)-3-nitro-benzamide Formula: C18H16N4O3S3 MolecularWeight: 432.53964

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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)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S3/c1-11-3-5-12(6-4-11)10-27-18-21-20-17(28-18)19-16(23)13-7-8-15(26-2)14(9-13)22(24)25/h3-9H,10H2,1-2H3,(H,19,20,23)