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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-3-14-26-18(17-10-6-4-7-11-17)24-25-20(26)28-16(2)19(27)23-21(15-22)12-8-5-9-13-21/h3-4,6-7,10-11,16H,1,5,8-9,12-14H2,2H3,(H,23,27)/t16-/m1/s1