2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C14H17N5O3S2 MolecularWeight: 367.44648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3S2/c1-9(2)7-15-13-17-18-14(24-13)23-8-12(20)16-10-3-5-11(6-4-10)19(21)22/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)