ethoxy-[2-(5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid

Systemtic Name: ethoxy-[2-(5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid Openeye Name: ethoxy-[2-(1-isopropyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid CAS Name: ethoxy-[2-[5-(methylthio)-1-propan-2-yl-1,2,4-triazol-3-yl]-3-sulfanylidene-1-cyclohexa-1,5-dienyl]phosphinic acid IUPAC Name: ethoxy-[2-(5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-sulfanylidenecyclohexa-1,5-dien-1-yl]phosphinic acid Traditional Name: ethoxy-[2-[1-isopropyl-5-(methylthio)-1,2,4-triazol-3-yl]-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid Formula: C14H20N3O3PS2 MolecularWeight: 373.430661

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=N2)SC)C(C)C)O

Isomeric SMILES

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=N2)SC)C(C)C)O

InChI

InChI=1S/C14H20N3O3PS2/c1-5-20-21(18,19)10-7-6-8-11(22)12(10)13-15-14(23-4)17(16-13)9(2)3/h6-7,9H,5,8H2,1-4H3,(H,18,19)