N,N-dicyclohexyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N,N-dicyclohexyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N,N-dicyclohexyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N,N-dicyclohexyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N(C2CCCCC2)C3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O3S/c1-26-22(17-12-14-20(15-13-17)28(30)31)24-25-23(26)32-16-21(29)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h12-15,18-19H,2-11,16H2,1H3