1-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S2/c1-13(2)18-20-21-19(23(18)14-6-7-14)29-17-9-8-15(12-16(17)24(25)26)30(27,28)22-10-4-3-5-11-22/h8-9,12-14H,3-7,10-11H2,1-2H3