5-isothiocyanato-2-propan-2-ylsulfanyl-1,3-benzoxazole

Systemtic Name: 5-isothiocyanato-2-propan-2-ylsulfanyl-1,3-benzoxazole Openeye Name: 2-isopropylsulfanyl-5-isothiocyanato-1,3-benzoxazole CAS Name: 5-isothiocyanato-2-(propan-2-ylthio)-1,3-benzoxazole IUPAC Name: 5-isothiocyanato-2-propan-2-ylsulfanyl-1,3-benzoxazole Traditional Name: 2-(isopropylthio)-5-isothiocyanato-1,3-benzoxazole Formula: C11H10N2OS2 MolecularWeight: 250.3399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(O1)C=CC(=C2)N=C=S

Isomeric SMILES

CC(C)SC1=NC2=C(O1)C=CC(=C2)N=C=S

InChI

InChI=1S/C11H10N2OS2/c1-7(2)16-11-13-9-5-8(12-6-15)3-4-10(9)14-11/h3-5,7H,1-2H3