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

Systemtic Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

COCC1=NN=C(N1CC=C)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H17N3O2S/c1-3-9-18-14(10-20-2)16-17-15(18)21-11-13(19)12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3