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

Systemtic Name: 3-[3-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[4-(2-cyanophenyl)phenyl]methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[4-(2-cyanophenyl)benzyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C23H19N5OS2 MolecularWeight: 445.55986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NN=C(N3CCC(=O)N)C4=CC=CS4

InChI

InChI=1S/C23H19N5OS2/c24-14-18-4-1-2-5-19(18)17-9-7-16(8-10-17)15-31-23-27-26-22(20-6-3-13-30-20)28(23)12-11-21(25)29/h1-10,13H,11-12,15H2,(H2,25,29)