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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C20H23N5O4S3/c1-23-19(13-15-7-6-12-30-15)21-22-20(23)31-18-9-8-16(14-17(18)25(26)27)32(28,29)24-10-4-2-3-5-11-24/h6-9,12,14H,2-5,10-11,13H2,1H3