(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-propanamide CAS Name: (2R)-N-[2-(1-cyclohexenyl)ethyl]-2-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]propanamide IUPAC Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide Traditional Name: (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]propionamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SC(C)C(=O)NCCC3=CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)S[C@H](C)C(=O)NCCC3=CCCCC3)C

InChI

InChI=1S/C20H27N5OS/c1-14-9-10-18(13-15(14)2)25-20(22-23-24-25)27-16(3)19(26)21-12-11-17-7-5-4-6-8-17/h7,9-10,13,16H,4-6,8,11-12H2,1-3H3,(H,21,26)/t16-/m1/s1