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

Systemtic Name: N-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[5-(p-tolylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[[(4-methylphenyl)thio]methyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[(4-methylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[5-[(p-tolylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3S2/c1-11-2-8-14(9-3-11)25-10-15-19-20-17(26-15)18-16(22)12-4-6-13(7-5-12)21(23)24/h2-9H,10H2,1H3,(H,18,20,22)