2-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H21N5OS2 MolecularWeight: 423.55434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=NN=C(S2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC2=NN=C(S2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C)C

InChI

InChI=1S/C21H21N5OS2/c1-4-14-9-5-7-12(2)17(14)24-20-25-26-21(29-20)28-11-16-22-18-13(3)8-6-10-15(18)19(27)23-16/h5-10H,4,11H2,1-3H3,(H,24,25)(H,22,23,27)