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

Systemtic Name: 1-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C20H21N5O4S3 MolecularWeight: 491.60684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C4CC4)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S3/c26-25(27)16-13-15(32(28,29)23-10-2-1-3-11-23)8-9-17(16)31-20-22-21-19(18-5-4-12-30-18)24(20)14-6-7-14/h4-5,8-9,12-14H,1-3,6-7,10-11H2