3-isothiocyanato-4-morpholin-4-yl-benzenecarbonitrile

Systemtic Name: 3-isothiocyanato-4-morpholin-4-yl-benzenecarbonitrile Openeye Name: 3-isothiocyanato-4-morpholino-benzonitrile CAS Name: 3-isothiocyanato-4-(4-morpholinyl)benzonitrile IUPAC Name: 3-isothiocyanato-4-morpholin-4-ylbenzonitrile Traditional Name: 3-isothiocyanato-4-morpholino-benzonitrile Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C#N)N=C=S

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C#N)N=C=S

InChI

InChI=1S/C12H11N3OS/c13-8-10-1-2-12(11(7-10)14-9-17)15-3-5-16-6-4-15/h1-2,7H,3-6H2