N-(2-cyano-3-methyl-butan-2-yl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C26H31N5O2S/c1-18(2)26(4,17-27)28-24(32)19(3)34-25-30-29-23(21-13-9-10-14-22(21)33-5)31(25)16-15-20-11-7-6-8-12-20/h6-14,18-19H,15-16H2,1-5H3,(H,28,32)