2-[[[4-(2,5-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[4-(2,5-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[4-(2,5-dimethylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(2,5-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[4-(2,5-dimethylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(2,5-dimethylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C=N3)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C=N3)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C22H24N6OS/c1-4-26(12-20-24-18-8-6-5-7-17(18)21(29)25-20)14-28-22(30)27(13-23-28)19-11-15(2)9-10-16(19)3/h5-11,13H,4,12,14H2,1-3H3,(H,24,25,29)