5-azanyl-2-phenyl-4-(9H-thioxanthen-9-yl)-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-phenyl-4-(9H-thioxanthen-9-yl)-1H-pyrazol-3-one Openeye Name: 5-amino-2-phenyl-4-(9H-thioxanthen-9-yl)-1H-pyrazol-3-one CAS Name: 5-amino-2-phenyl-4-(9H-thioxanthen-9-yl)-1H-pyrazol-3-one IUPAC Name: 5-amino-2-phenyl-4-(9H-thioxanthen-9-yl)-1H-pyrazol-3-one Traditional Name: 5-amino-2-phenyl-4-(9H-thioxanthen-9-yl)-3-pyrazolin-3-one Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C(N2)N)C3C4=CC=CC=C4SC5=CC=CC=C35

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(N2)N)C3C4=CC=CC=C4SC5=CC=CC=C35

InChI

InChI=1S/C22H17N3OS/c23-21-20(22(26)25(24-21)14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)27-18-13-7-5-11-16(18)19/h1-13,19,24H,23H2