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

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-3-thienyl)ethanone CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-3-thienyl)ethanone Formula: C19H19N3OS2 MolecularWeight: 369.50366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS2/c1-4-10-22-18(15-8-6-5-7-9-15)20-21-19(22)24-12-17(23)16-11-13(2)25-14(16)3/h4-9,11H,1,10,12H2,2-3H3