(2S)-2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-propanamide

Systemtic Name: (2S)-2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-propanamide Openeye Name: (2S)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-propanamide CAS Name: (2S)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-ethylpropanamide IUPAC Name: (2S)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethylpropanamide Traditional Name: (2S)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-ethyl-propionamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1CCCCC1)C(=O)[C@H](C)SC2=NN=C(N2N)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H29N5OS/c1-4-24(17-8-6-5-7-9-17)19(26)15(3)27-20-23-22-18(25(20)21)16-12-10-14(2)11-13-16/h10-13,15,17H,4-9,21H2,1-3H3/t15-/m0/s1