3-azanyl-4-(9H-thioxanthen-9-yl)-1,4-dihydropyrazol-5-one

Systemtic Name: 3-azanyl-4-(9H-thioxanthen-9-yl)-1,4-dihydropyrazol-5-one Openeye Name: 3-amino-4-(9H-thioxanthen-9-yl)-1,4-dihydropyrazol-5-one CAS Name: 3-amino-4-(9H-thioxanthen-9-yl)-1,4-dihydropyrazol-5-one IUPAC Name: 3-amino-4-(9H-thioxanthen-9-yl)-1,4-dihydropyrazol-5-one Traditional Name: 5-amino-4-(9H-thioxanthen-9-yl)-2-pyrazolin-3-one Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)C4C(=NNC4=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)C4C(=NNC4=O)N

InChI

InChI=1S/C16H13N3OS/c17-15-14(16(20)19-18-15)13-9-5-1-3-7-11(9)21-12-8-4-2-6-10(12)13/h1-8,13-14H,(H2,17,18)(H,19,20)