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

Systemtic Name: 1-phenyl-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 1-phenyl-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3OS/c1-2-13-23-19(14-16-9-5-3-6-10-16)21-22-20(23)25-15-18(24)17-11-7-4-8-12-17/h2-12H,1,13-15H2