1-methyl-4-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperazine Openeye Name: 1-[4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-methyl-4-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperazine Traditional Name: 1-[4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C16H22N6O4S2 MolecularWeight: 426.51368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O4S2/c1-11(2)15-17-16(19-18-15)27-14-5-4-12(10-13(14)22(23)24)28(25,26)21-8-6-20(3)7-9-21/h4-5,10-11H,6-9H2,1-3H3,(H,17,18,19)