3-ethyl-7-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-ethyl-7-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-[[3-(2-methylthiazol-4-yl)phenyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[[3-(2-methyl-4-thiazolyl)anilino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-[[3-(2-methylthiazol-4-yl)phenyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C21H17N4O2S2- MolecularWeight: 421.51528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=CC(=C3)C4=CSC(=N4)C)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=CC(=C3)C4=CSC(=N4)C)[O-]

InChI

InChI=1S/C21H18N4O2S2/c1-3-25-20(27)16-8-7-14(10-17(16)24-21(25)28)19(26)23-15-6-4-5-13(9-15)18-11-29-12(2)22-18/h4-11,27H,3H2,1-2H3,(H,23,26)/p-1