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

Systemtic Name: 2-methyl-3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

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