N,N-dimethyl-1-[4-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]phenyl]methanamine

Systemtic Name: N,N-dimethyl-1-[4-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]phenyl]methanamine Openeye Name: N,N-dimethyl-1-[4-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]phenyl]methanamine CAS Name: N,N-dimethyl-1-[4-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]phenyl]methanamine IUPAC Name: N,N-dimethyl-1-[4-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]phenyl]methanamine Traditional Name: dimethyl-[4-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzyl]amine Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-20(2)11-12-6-8-13(9-7-12)16-18-19-17(24-16)14-4-3-5-15(10-14)21(22)23/h3-10H,11H2,1-2H3