(2R)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide

Systemtic Name: (2R)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide Openeye Name: (2R)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide CAS Name: (2R)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)propanamide Traditional Name: (2R)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-methoxyphenyl)propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)SC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)OC)SC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C21H28N4O2S/c1-4-13-25-19(16-9-6-5-7-10-16)23-24-21(25)28-15(2)20(26)22-17-11-8-12-18(14-17)27-3/h4,8,11-12,14-16H,1,5-7,9-10,13H2,2-3H3,(H,22,26)/t15-/m1/s1