(1-tert-butyl-3-phenyl-pyrazol-4-yl)methanethiol

Systemtic Name: (1-tert-butyl-3-phenyl-pyrazol-4-yl)methanethiol Openeye Name: (1-tert-butyl-3-phenyl-pyrazol-4-yl)methanethiol CAS Name: (1-tert-butyl-3-phenyl-4-pyrazolyl)methanethiol IUPAC Name: (1-tert-butyl-3-phenylpyrazol-4-yl)methanethiol Traditional Name: (1-tert-butyl-3-phenyl-pyrazol-4-yl)methanethiol Formula: C14H18N2S MolecularWeight: 246.37112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2)CS

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2)CS

InChI

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