2-butyl-2-heptan-3-yl-3-methyl-1,3-benzothiazole

Systemtic Name: 2-butyl-2-heptan-3-yl-3-methyl-1,3-benzothiazole Openeye Name: 2-butyl-2-(1-ethylpentyl)-3-methyl-1,3-benzothiazole CAS Name: 2-butyl-2-heptan-3-yl-3-methyl-1,3-benzothiazole IUPAC Name: 2-butyl-2-heptan-3-yl-3-methyl-1,3-benzothiazole Traditional Name: 2-butyl-2-(1-ethylpentyl)-3-methyl-1,3-benzothiazole Formula: C19H31NS MolecularWeight: 305.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1(N(C2=CC=CC=C2S1)C)CCCC

Isomeric SMILES

CCCCC(CC)C1(N(C2=CC=CC=C2S1)C)CCCC

InChI

InChI=1S/C19H31NS/c1-5-8-12-16(7-3)19(15-9-6-2)20(4)17-13-10-11-14-18(17)21-19/h10-11,13-14,16H,5-9,12,15H2,1-4H3