(2R)-N-(2-cyanoethyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3OC

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3OC

InChI

InChI=1S/C21H21N5O2S/c1-16(20(27)25(14-8-13-22)17-9-4-3-5-10-17)29-21-24-23-15-26(21)18-11-6-7-12-19(18)28-2/h3-7,9-12,15-16H,8,14H2,1-2H3/t16-/m1/s1