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

Systemtic Name: 4-(dimethylamino)-3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(dimethylamino)-3-nitro-benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(dimethylamino)-3-nitro-benzamide Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S2/c1-22(2)14-9-8-13(10-15(14)23(25)26)16(24)19-17-20-21-18(28-17)27-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,20,24)