5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H21N6O4S3+ MolecularWeight: 457.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC=C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4S3/c1-3-6-17-15-18-19-16(28-15)27-14-5-4-12(11-13(14)22(23)24)29(25,26)21-9-7-20(2)8-10-21/h3-5,11H,1,6-10H2,2H3,(H,17,18)/p+1