2-[4-(3,3-dimethylbutyl)phenoxy]sulfanyl-4-methyl-pyrimidine

Systemtic Name: 2-[4-(3,3-dimethylbutyl)phenoxy]sulfanyl-4-methyl-pyrimidine Openeye Name: 2-[4-(3,3-dimethylbutyl)phenoxy]sulfanyl-4-methyl-pyrimidine CAS Name: 4-methyl-2-pyrimidinesulfenic acid [4-(3,3-dimethylbutyl)phenyl] ester IUPAC Name: 2-[4-(3,3-dimethylbutyl)phenoxy]sulfanyl-4-methylpyrimidine Traditional Name: 2-[[4-(3,3-dimethylbutyl)phenoxy]thio]-4-methyl-pyrimidine Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SOC2=CC=C(C=C2)CCC(C)(C)C

Isomeric SMILES

CC1=NC(=NC=C1)SOC2=CC=C(C=C2)CCC(C)(C)C

InChI

InChI=1S/C17H22N2OS/c1-13-10-12-18-16(19-13)21-20-15-7-5-14(6-8-15)9-11-17(2,3)4/h5-8,10,12H,9,11H2,1-4H3