(E)-1-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-ethoxy-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-1-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-ethoxy-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-1-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-4-ethoxy-4-hydroxy-but-3-en-2-one CAS Name: (E)-1-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-4-ethoxy-4-hydroxy-3-buten-2-one IUPAC Name: (E)-1-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-ethoxy-4-hydroxybut-3-en-2-one Traditional Name: (E)-1-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-4-ethoxy-4-hydroxy-but-3-en-2-one Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)CSC1=NN=C(N1N)C2=CC=NC=C2)O

Isomeric SMILES

CCO/C(=C/C(=O)CSC1=NN=C(N1N)C2=CC=NC=C2)/O

InChI

InChI=1S/C13H15N5O3S/c1-2-21-11(20)7-10(19)8-22-13-17-16-12(18(13)14)9-3-5-15-6-4-9/h3-7,20H,2,8,14H2,1H3/b11-7+