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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1,3-benzodioxol-5-yl)ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-1-(1,3-benzodioxol-5-yl)ethanone Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17N3O3S/c1-3-7-19-15(4-2)17-18-16(19)23-9-12(20)11-5-6-13-14(8-11)22-10-21-13/h3,5-6,8H,1,4,7,9-10H2,2H3