5-butyl-3-phenyl-1,2-thiazol-4-amine

Systemtic Name: 5-butyl-3-phenyl-1,2-thiazol-4-amine Openeye Name: 5-butyl-3-phenyl-isothiazol-4-amine CAS Name: 5-butyl-3-phenyl-4-isothiazolamine IUPAC Name: 5-butyl-3-phenyl-1,2-thiazol-4-amine Traditional Name: (5-butyl-3-phenyl-isothiazol-4-yl)amine Formula: C13H16N2S MolecularWeight: 232.34454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NS1)C2=CC=CC=C2)N

Isomeric SMILES

CCCCC1=C(C(=NS1)C2=CC=CC=C2)N

InChI

InChI=1S/C13H16N2S/c1-2-3-9-11-12(14)13(15-16-11)10-7-5-4-6-8-10/h4-8H,2-3,9,14H2,1H3