N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Formula: C16H18N4O3S2 MolecularWeight: 378.46912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S2/c21-14(12-6-2-1-3-7-12)17-15-18-19-16(25-15)24-10-11-5-4-8-13(9-11)20(22)23/h4-5,8-9,12H,1-3,6-7,10H2,(H,17,18,21)