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

Systemtic Name: 2-methyl-3,5-dinitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-methyl-3,5-dinitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-methyl-3,5-dinitro-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-methyl-3,5-dinitro-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-methyl-3,5-dinitro-N-[5-[(phenylthio)methyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H13N5O5S2 MolecularWeight: 431.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=NN=C(S2)CSC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5S2/c1-10-13(7-11(21(24)25)8-14(10)22(26)27)16(23)18-17-20-19-15(29-17)9-28-12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H,18,20,23)