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

Systemtic Name: 7-chloranyl-5-isothiocyanato-2-(1-methylpyrrol-2-yl)-1,3-benzoxazole Openeye Name: 7-chloro-5-isothiocyanato-2-(1-methylpyrrol-2-yl)-1,3-benzoxazole CAS Name: 7-chloro-5-isothiocyanato-2-(1-methyl-2-pyrrolyl)-1,3-benzoxazole IUPAC Name: 7-chloro-5-isothiocyanato-2-(1-methylpyrrol-2-yl)-1,3-benzoxazole Traditional Name: 7-chloro-5-isothiocyanato-2-(1-methylpyrrol-2-yl)-1,3-benzoxazole Formula: C13H8ClN3OS MolecularWeight: 289.74012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NC3=CC(=CC(=C3O2)Cl)N=C=S

Isomeric SMILES

CN1C=CC=C1C2=NC3=CC(=CC(=C3O2)Cl)N=C=S

InChI

InChI=1S/C13H8ClN3OS/c1-17-4-2-3-11(17)13-16-10-6-8(15-7-19)5-9(14)12(10)18-13/h2-6H,1H3