2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenyl-ethanamide

Systemtic Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N,N-diphenylacetamide IUPAC Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-diphenyl-acetamide Formula: C29H25N5OS MolecularWeight: 491.6067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C29H25N5OS/c35-27(34(25-12-6-2-7-13-25)26-14-8-3-9-15-26)22-36-29-32-31-28(24-16-19-30-20-17-24)33(29)21-18-23-10-4-1-5-11-23/h1-17,19-20H,18,21-22H2