1-phenyl-2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-phenyl-2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H20N4OS MolecularWeight: 364.464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC3=CC=CC=C3

InChI

InChI=1S/C20H20N4OS/c1-2-13-24-19(14-21-17-11-7-4-8-12-17)22-23-20(24)26-15-18(25)16-9-5-3-6-10-16/h2-12,21H,1,13-15H2