2-(4-tert-butylphenyl)sulfonyl-5-isothiocyanato-pyridine

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-5-isothiocyanato-pyridine Openeye Name: 2-(4-tert-butylphenyl)sulfonyl-5-isothiocyanato-pyridine CAS Name: 2-(4-tert-butylphenyl)sulfonyl-5-isothiocyanatopyridine IUPAC Name: 2-(4-tert-butylphenyl)sulfonyl-5-isothiocyanatopyridine Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-5-isothiocyanato-pyridine Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)N=C=S

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)N=C=S

InChI

InChI=1S/C16H16N2O2S2/c1-16(2,3)12-4-7-14(8-5-12)22(19,20)15-9-6-13(10-17-15)18-11-21/h4-10H,1-3H3