3-methyl-1-[4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-piperidine

Systemtic Name: 3-methyl-1-[4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-piperidine Openeye Name: 3-methyl-1-[4-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-piperidine CAS Name: 3-methyl-1-[4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 3-methyl-1-[4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 3-methyl-1-[4-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]sulfonyl-piperidine Formula: C20H23N5O4S3 MolecularWeight: 493.62272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C)CC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(N3C)CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S3/c1-14-5-3-9-24(13-14)32(28,29)16-7-8-18(17(12-16)25(26)27)31-20-22-21-19(23(20)2)11-15-6-4-10-30-15/h4,6-8,10,12,14H,3,5,9,11,13H2,1-2H3