5-methyl-2-phenyl-4-[[1-[(2-sulfanylidene-1,3-diazinan-1-yl)methyl]indol-3-yl]methylidene]pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-4-[[1-[(2-sulfanylidene-1,3-diazinan-1-yl)methyl]indol-3-yl]methylidene]pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-[[1-[(2-thioxohexahydropyrimidin-1-yl)methyl]indol-3-yl]methylene]pyrazol-3-one CAS Name: 5-methyl-2-phenyl-4-[[1-[(2-sulfanylidene-1,3-diazinan-1-yl)methyl]-3-indolyl]methylidene]-3-pyrazolone IUPAC Name: 5-methyl-2-phenyl-4-[[1-[(2-sulfanylidene-1,3-diazinan-1-yl)methyl]indol-3-yl]methylidene]pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-[[1-[(2-thioxohexahydropyrimidin-1-yl)methyl]indol-3-yl]methylene]-2-pyrazolin-3-one Formula: C24H23N5OS MolecularWeight: 429.53732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CN4CCCNC4=S)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CN4CCCNC4=S)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5OS/c1-17-21(23(30)29(26-17)19-8-3-2-4-9-19)14-18-15-28(22-11-6-5-10-20(18)22)16-27-13-7-12-25-24(27)31/h2-6,8-11,14-15H,7,12-13,16H2,1H3,(H,25,31)