5-[4-(thian-4-ylamino)phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[4-(thian-4-ylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(tetrahydrothiopyran-4-ylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(4-thianylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(thian-4-ylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(tetrahydrothiopyran-4-ylamino)phenyl]-3-pyrazolin-3-one Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC=C(C=C2)C3=CC(=O)NN3

Isomeric SMILES

C1CSCCC1NC2=CC=C(C=C2)C3=CC(=O)NN3

InChI

InChI=1S/C14H17N3OS/c18-14-9-13(16-17-14)10-1-3-11(4-2-10)15-12-5-7-19-8-6-12/h1-4,9,12,15H,5-8H2,(H2,16,17,18)