(E)-4-methoxy-4-methyl-1-thiophen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one

Systemtic Name: (E)-4-methoxy-4-methyl-1-thiophen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-4-methoxy-4-methyl-1-(2-thienyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-4-methoxy-4-methyl-1-thiophen-2-yl-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-4-methoxy-4-methyl-1-thiophen-2-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-4-methoxy-4-methyl-1-(2-thienyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(=CC1=CC=CS1)N2C=NC=N2)OC

Isomeric SMILES

CC(C)(C(=O)/C(=C\C1=CC=CS1)/N2C=NC=N2)OC

InChI

InChI=1S/C13H15N3O2S/c1-13(2,18-3)12(17)11(16-9-14-8-15-16)7-10-5-4-6-19-10/h4-9H,1-3H3/b11-7+