N-(2-cyanophenyl)-3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-cyanophenyl)-3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide CAS Name: N-(2-cyanophenyl)-3-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)propanamide Traditional Name: 3-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanophenyl)propionamide Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C25H21N5OS/c26-18-20-11-7-8-14-22(20)27-24(31)15-16-32-25-29-28-23(17-19-9-3-1-4-10-19)30(25)21-12-5-2-6-13-21/h1-14H,15-17H2,(H,27,31)