2-tert-butyl-6-isothiocyanato-5-pyrrolidin-1-yl-1,3-benzothiazole

Systemtic Name: 2-tert-butyl-6-isothiocyanato-5-pyrrolidin-1-yl-1,3-benzothiazole Openeye Name: 2-tert-butyl-6-isothiocyanato-5-pyrrolidin-1-yl-1,3-benzothiazole CAS Name: 2-tert-butyl-6-isothiocyanato-5-(1-pyrrolidinyl)-1,3-benzothiazole IUPAC Name: 2-tert-butyl-6-isothiocyanato-5-pyrrolidin-1-yl-1,3-benzothiazole Traditional Name: 2-tert-butyl-6-isothiocyanato-5-pyrrolidino-1,3-benzothiazole Formula: C16H19N3S2 MolecularWeight: 317.47216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)N=C=S)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)N=C=S)N3CCCC3

InChI

InChI=1S/C16H19N3S2/c1-16(2,3)15-18-12-8-13(19-6-4-5-7-19)11(17-10-20)9-14(12)21-15/h8-9H,4-7H2,1-3H3