2-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-quinazoline-4-thione

Systemtic Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-quinazoline-4-thione Openeye Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methylsulfanyl]-1H-quinazoline-4-thione CAS Name: 2-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-1H-quinazoline-4-thione IUPAC Name: 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-quinazoline-4-thione Traditional Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methylthio]-1H-quinazoline-4-thione Formula: C21H19N3O2S3 MolecularWeight: 441.58946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC(=S)C4=CC=CC=C4N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NC(=S)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C21H19N3O2S3/c1-3-26-17-9-8-13(10-18(17)25-2)20-22-14(11-28-20)12-29-21-23-16-7-5-4-6-15(16)19(27)24-21/h4-11H,3,12H2,1-2H3,(H,23,24,27)