3-[3-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[4-(2-cyanophenyl)phenyl]methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[4-(2-cyanophenyl)benzyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N5OS/c23-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-29-22-26-25-21(17-9-10-17)27(22)12-11-20(24)28/h1-8,17H,9-12,14H2,(H2,24,28)