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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

InChI

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