N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1CC=C)C2=CN=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CSC1=NN=C(N1CC=C)C2=CN=CC=C2

InChI

InChI=1S/C18H22N6OS/c1-5-9-24-16(14-7-6-8-20-10-14)22-23-17(24)26-11-15(25)21-18(4,12-19)13(2)3/h5-8,10,13H,1,9,11H2,2-4H3,(H,21,25)/t18-/m0/s1