1-[4-cyclopropyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-piperidine

Systemtic Name: 1-[4-cyclopropyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-piperidine Openeye Name: 1-[4-cyclopropyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methyl-piperidine CAS Name: 1-[4-cyclopropyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]-4-methylpiperidine IUPAC Name: 1-[4-cyclopropyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-4-methylpiperidine Traditional Name: 1-[4-cyclopropyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-3-yl]-4-methyl-piperidine Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C20H25N5O4S/c1-13-4-6-23(7-5-13)19-21-22-20(24(19)16-2-3-16)30-11-15-9-17(25(26)27)8-14-10-28-12-29-18(14)15/h8-9,13,16H,2-7,10-12H2,1H3