(2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-piperidinophenyl)propionamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)N3CCCCC3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1S[C@@H](C)C(=O)NC2=CC=C(C=C2)N3CCCCC3)C4CC4

InChI

InChI=1S/C21H29N5OS/c1-3-26-19(16-7-8-16)23-24-21(26)28-15(2)20(27)22-17-9-11-18(12-10-17)25-13-5-4-6-14-25/h9-12,15-16H,3-8,13-14H2,1-2H3,(H,22,27)/t15-/m0/s1