4-(1,3-diphenylpyrazol-4-yl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one

Systemtic Name: 4-(1,3-diphenylpyrazol-4-yl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Openeye Name: 4-(1,3-diphenylpyrazol-4-yl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one CAS Name: 4-(1,3-diphenyl-4-pyrazolyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one IUPAC Name: 4-(1,3-diphenylpyrazol-4-yl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Traditional Name: 4-(1,3-diphenylpyrazol-4-yl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC(=S)N2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C(NC(=S)N2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C23H20N4OS/c28-19-13-7-12-18-20(19)22(25-23(29)24-18)17-14-27(16-10-5-2-6-11-16)26-21(17)15-8-3-1-4-9-15/h1-6,8-11,14,22H,7,12-13H2,(H2,24,25,29)