(2R)-N-(4-cyanophenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C20H24N6OS/c1-14(18(27)22-16-7-5-15(13-21)6-8-16)28-20-24-23-19(26(20)17-9-10-17)25-11-3-2-4-12-25/h5-8,14,17H,2-4,9-12H2,1H3,(H,22,27)/t14-/m1/s1