N-[2-(phenylmethyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(phenylmethyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-benzylphenyl)acetamide CAS Name: N-[2-(phenylmethyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-benzylphenyl)acetamide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H23N5OS/c1-2-16-30-24(20-12-14-26-15-13-20)28-29-25(30)32-18-23(31)27-22-11-7-6-10-21(22)17-19-8-4-3-5-9-19/h2-15H,1,16-18H2,(H,27,31)