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

Systemtic Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine Openeye Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitro-phenyl]piperazine CAS Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]piperazine IUPAC Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]piperazine Traditional Name: 1-methyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitro-phenyl]piperazine Formula: C14H18N6O2S MolecularWeight: 334.39672

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=CN3C

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NN=CN3C

InChI

InChI=1S/C14H18N6O2S/c1-17-5-7-19(8-6-17)11-3-4-12(20(21)22)13(9-11)23-14-16-15-10-18(14)2/h3-4,9-10H,5-8H2,1-2H3