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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2OC

InChI

InChI=1S/C20H25N5O2S/c1-6-11-25-18(15-9-7-8-10-16(15)27-5)23-24-19(25)28-12-17(26)22-20(4,13-21)14(2)3/h6-10,14H,1,11-12H2,2-5H3,(H,22,26)