(3,5-diethyl-5-oxidanyl-4H-pyrazol-1-yl)-phenyl-methanethione

Systemtic Name: (3,5-diethyl-5-oxidanyl-4H-pyrazol-1-yl)-phenyl-methanethione Openeye Name: (3,5-diethyl-5-hydroxy-4H-pyrazol-1-yl)-phenyl-methanethione CAS Name: (3,5-diethyl-5-hydroxy-4H-pyrazol-1-yl)-phenylmethanethione IUPAC Name: (3,5-diethyl-5-hydroxy-4H-pyrazol-1-yl)-phenylmethanethione Traditional Name: (3,5-diethyl-5-hydroxy-2-pyrazolin-1-yl)-phenyl-methanethione Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(CC)O)C(=S)C2=CC=CC=C2

Isomeric SMILES

CCC1=NN(C(C1)(CC)O)C(=S)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2OS/c1-3-12-10-14(17,4-2)16(15-12)13(18)11-8-6-5-7-9-11/h5-9,17H,3-4,10H2,1-2H3