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

Systemtic Name: 3-methyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-methyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-methyl-N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-methyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-methyl-N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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