4-methyl-3-nitro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-methyl-3-nitro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-methyl-3-nitro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-methyl-3-nitro-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methyl-3-nitro-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-methyl-3-nitro-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H14N4O4S2 MolecularWeight: 414.45816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O4S2/c1-11-7-8-13(9-14(11)22(25)26)16(24)19-17-20-21-18(28-17)27-10-15(23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20,24)