1-[3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]ethanone Openeye Name: 1-[4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]phenyl]ethanone Traditional Name: 1-[4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]ethanone Formula: C13H12N4O3S2 MolecularWeight: 336.38938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S2/c1-3-6-14-12-15-16-13(22-12)21-11-5-4-9(8(2)18)7-10(11)17(19)20/h3-5,7H,1,6H2,2H3,(H,14,15)