N-(2,6-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2,6-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(2,6-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2,6-dimethylphenyl)-5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2,6-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: (2,6-dimethylphenyl)-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H16N4O2S2 MolecularWeight: 372.46454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S2/c1-11-5-3-6-12(2)15(11)18-16-19-20-17(25-16)24-10-13-7-4-8-14(9-13)21(22)23/h3-9H,10H2,1-2H3,(H,18,19)