2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[[5-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]quinazolin-4-olate CAS Name: 2-[[5-[(2-ethoxy-2-oxoethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methylthio]-4-quinazolinolate IUPAC Name: 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[[5-[(2-ethoxy-2-keto-ethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methylthio]quinazolin-4-olate Formula: C21H18N5O3S2- MolecularWeight: 452.52932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C21H19N5O3S2/c1-2-29-18(27)13-31-21-25-24-17(26(21)14-8-4-3-5-9-14)12-30-20-22-16-11-7-6-10-15(16)19(28)23-20/h3-11H,2,12-13H2,1H3,(H,22,23,28)/p-1