(Z)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-1-ethoxy-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (Z)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-1-ethoxy-3-oxidanylidene-but-1-en-1-olate Openeye Name: (Z)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-1-ethoxy-3-oxo-but-1-en-1-olate CAS Name: (Z)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-ethoxy-2-(1-iminoethyl)-3-oxo-1-buten-1-olate IUPAC Name: (Z)-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethanimidoyl-1-ethoxy-3-oxobut-1-en-1-olate Traditional Name: (Z)-2-acetimidoyl-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-ethoxy-3-keto-but-1-en-1-olate Formula: C22H21N4O3S- MolecularWeight: 421.49214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=N)C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCO/C(=C(/C(=N)C)\C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3)/[O-]

InChI

InChI=1S/C22H22N4O3S/c1-3-29-21(28)19(15(2)23)18(27)14-30-22-25-24-20(16-10-6-4-7-11-16)26(22)17-12-8-5-9-13-17/h4-13,23,28H,3,14H2,1-2H3/p-1/b21-19-,23-15?