N-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-nitrocyclohexyl)butanamide

Systemtic Name: N-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-nitrocyclohexyl)butanamide Openeye Name: N-methyl-4-(1-methyltetrazol-5-yl)sulfanyl-N-(4-nitrocyclohexyl)butanamide CAS Name: N-methyl-4-[(1-methyl-5-tetrazolyl)thio]-N-(4-nitrocyclohexyl)butanamide IUPAC Name: N-methyl-4-(1-methyltetrazol-5-yl)sulfanyl-N-(4-nitrocyclohexyl)butanamide Traditional Name: N-methyl-4-[(1-methyltetrazol-5-yl)thio]-N-(4-nitrocyclohexyl)butyramide Formula: C13H22N6O3S MolecularWeight: 342.41718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)N(C)C2CCC(CC2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)N(C)C2CCC(CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H22N6O3S/c1-17(10-5-7-11(8-6-10)19(21)22)12(20)4-3-9-23-13-14-15-16-18(13)2/h10-11H,3-9H2,1-2H3