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

Systemtic Name: N-(3-chloranyl-2-oxidanyl-cyclohexyl)-N-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide Openeye Name: N-(3-chloro-2-hydroxy-cyclohexyl)-N-methyl-4-(1-methyltetrazol-5-yl)sulfanyl-butanamide CAS Name: N-(3-chloro-2-hydroxycyclohexyl)-N-methyl-4-[(1-methyl-5-tetrazolyl)thio]butanamide IUPAC Name: N-(3-chloro-2-hydroxycyclohexyl)-N-methyl-4-(1-methyltetrazol-5-yl)sulfanylbutanamide Traditional Name: N-(3-chloro-2-hydroxy-cyclohexyl)-N-methyl-4-[(1-methyltetrazol-5-yl)thio]butyramide Formula: C13H22ClN5O2S MolecularWeight: 347.86408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)N(C)C2CCCC(C2O)Cl

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)N(C)C2CCCC(C2O)Cl

InChI

InChI=1S/C13H22ClN5O2S/c1-18(10-6-3-5-9(14)12(10)21)11(20)7-4-8-22-13-15-16-17-19(13)2/h9-10,12,21H,3-8H2,1-2H3