N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H26N6OS/c1-21(15-22,16-10-11-16)23-18(28)14-29-20-25-24-19(26-12-6-3-7-13-26)27(20)17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3,(H,23,28)/t21-/m0/s1