1-methyl-4-[3-nitro-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[3-nitro-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperazine Openeye Name: 1-[4-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-methyl-4-[3-nitro-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[3-nitro-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperazine Traditional Name: 1-[4-[(4-allyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C16H20N6O4S2 MolecularWeight: 424.4978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=CN3CC=C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=CN3CC=C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4S2/c1-3-6-20-12-17-18-16(20)27-15-5-4-13(11-14(15)22(23)24)28(25,26)21-9-7-19(2)8-10-21/h3-5,11-12H,1,6-10H2,2H3