6-isocyanato-2-(phenylmethylsulfanyl)-1,3-benzothiazole hydrochloride

Systemtic Name: 6-isocyanato-2-(phenylmethylsulfanyl)-1,3-benzothiazole hydrochloride Openeye Name: 2-benzylsulfanyl-6-isocyanato-1,3-benzothiazole hydrochloride CAS Name: 6-isocyanato-2-(phenylmethylthio)-1,3-benzothiazole hydrochloride IUPAC Name: 2-benzylsulfanyl-6-isocyanato-1,3-benzothiazole hydrochloride Traditional Name: 2-(benzylthio)-6-isocyanato-1,3-benzothiazole hydrochloride Formula: C15H11ClN2OS2 MolecularWeight: 334.84364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N=C=O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N=C=O.Cl

InChI

InChI=1S/C15H10N2OS2.ClH/c18-10-16-12-6-7-13-14(8-12)20-15(17-13)19-9-11-4-2-1-3-5-11;/h1-8H,9H2;1H