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

Systemtic Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C19H24N6O4S2 MolecularWeight: 464.56166

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O4S2/c1-22-8-10-23(11-9-22)31(28,29)15-6-7-17(16(12-15)25(26)27)30-19-21-20-18(13-2-3-13)24(19)14-4-5-14/h6-7,12-14H,2-5,8-11H2,1H3