2-(4-butyl-3,5-dimethyl-pyrazol-1-yl)-1,3-benzothiazole

Systemtic Name: 2-(4-butyl-3,5-dimethyl-pyrazol-1-yl)-1,3-benzothiazole Openeye Name: 2-(4-butyl-3,5-dimethyl-pyrazol-1-yl)-1,3-benzothiazole CAS Name: 2-(4-butyl-3,5-dimethyl-1-pyrazolyl)-1,3-benzothiazole IUPAC Name: 2-(4-butyl-3,5-dimethylpyrazol-1-yl)-1,3-benzothiazole Traditional Name: 2-(4-butyl-3,5-dimethyl-pyrazol-1-yl)-1,3-benzothiazole Formula: C16H19N3S MolecularWeight: 285.40716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=C1C)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCCCC1=C(N(N=C1C)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H19N3S/c1-4-5-8-13-11(2)18-19(12(13)3)16-17-14-9-6-7-10-15(14)20-16/h6-7,9-10H,4-5,8H2,1-3H3