4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethoxy-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethoxy-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-but-1-en-1-olate Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethoxy-2-(4-methylthiazol-2-yl)-3-oxo-but-1-en-1-olate CAS Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-ethoxy-2-(4-methyl-2-thiazolyl)-3-oxo-1-buten-1-olate IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-ethoxy-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobut-1-en-1-olate Traditional Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-ethoxy-3-keto-2-(4-methylthiazol-2-yl)but-1-en-1-olate Formula: C21H21N4O3S2- MolecularWeight: 441.54644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=NC(=CS1)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)[O-]

Isomeric SMILES

CCOC(=C(C1=NC(=CS1)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4)[O-]

InChI

InChI=1S/C21H22N4O3S2/c1-3-28-20(27)17(19-22-13(2)11-29-19)16(26)12-30-21-24-23-18(14-9-10-14)25(21)15-7-5-4-6-8-15/h4-8,11,14,27H,3,9-10,12H2,1-2H3/p-1