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

Systemtic Name: 2-[[ethyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[ethyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6OS/c1-2-24(12-18-22-17-11-7-6-10-16(17)19(27)23-18)14-26-20(28)25(13-21-26)15-8-4-3-5-9-15/h3-11,13H,2,12,14H2,1H3,(H,22,23,27)