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

Systemtic Name: 4-methoxy-3-nitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-methoxy-3-nitro-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S2/c1-25-14-8-7-11(9-13(14)21(23)24)16(22)18-17-20-19-15(27-17)10-26-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20,22)