2-[[ethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[ethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[ethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6OS/c1-3-25(13-19-22-18-12-8-7-11-17(18)20(28)23-19)14-26-21(29)27(15(2)24-26)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,22,23,28)