3-tert-butyl-5-(phenylsulfanylmethyl)-1H-pyrazole

Systemtic Name: 3-tert-butyl-5-(phenylsulfanylmethyl)-1H-pyrazole Openeye Name: 3-tert-butyl-5-(phenylsulfanylmethyl)-1H-pyrazole CAS Name: 3-tert-butyl-5-[(phenylthio)methyl]-1H-pyrazole IUPAC Name: 3-tert-butyl-5-(phenylsulfanylmethyl)-1H-pyrazole Traditional Name: 3-tert-butyl-5-[(phenylthio)methyl]-1H-pyrazole Formula: C14H18N2S MolecularWeight: 246.37112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=C1)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NNC(=C1)CSC2=CC=CC=C2

InChI

InChI=1S/C14H18N2S/c1-14(2,3)13-9-11(15-16-13)10-17-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,15,16)