5-isothiocyanato-2-(1-methylpyrrol-2-yl)-1,3-benzoxazole

Systemtic Name: 5-isothiocyanato-2-(1-methylpyrrol-2-yl)-1,3-benzoxazole Openeye Name: 5-isothiocyanato-2-(1-methylpyrrol-2-yl)-1,3-benzoxazole CAS Name: 5-isothiocyanato-2-(1-methyl-2-pyrrolyl)-1,3-benzoxazole IUPAC Name: 5-isothiocyanato-2-(1-methylpyrrol-2-yl)-1,3-benzoxazole Traditional Name: 5-isothiocyanato-2-(1-methylpyrrol-2-yl)-1,3-benzoxazole Formula: C13H9N3OS MolecularWeight: 255.29506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NC3=C(O2)C=CC(=C3)N=C=S

Isomeric SMILES

CN1C=CC=C1C2=NC3=C(O2)C=CC(=C3)N=C=S

InChI

InChI=1S/C13H9N3OS/c1-16-6-2-3-11(16)13-15-10-7-9(14-8-18)4-5-12(10)17-13/h2-7H,1H3