2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NCC=C)CC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NCC=C)CC2=CC=CC=C2

InChI

InChI=1S/C17H22N4OS/c1-4-11-18-16(22)13(3)23-17-20-19-15(21(17)5-2)12-14-9-7-6-8-10-14/h4,6-10,13H,1,5,11-12H2,2-3H3,(H,18,22)