4-(dithiomorpholin-4-ylmethyl)benzenecarbonitrile

Systemtic Name: 4-(dithiomorpholin-4-ylmethyl)benzenecarbonitrile Openeye Name: 4-(dithiomorpholinomethyl)benzonitrile CAS Name: 4-(dithiomorpholin-4-ylmethyl)benzonitrile IUPAC Name: 4-(dithiomorpholin-4-ylmethyl)benzonitrile Traditional Name: 4-(dithiomorpholinomethyl)benzonitrile Formula: C16H21N3S2 MolecularWeight: 319.48804

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(C2=CC=C(C=C2)C#N)N3CCSCC3

Isomeric SMILES

C1CSCCN1C(C2=CC=C(C=C2)C#N)N3CCSCC3

InChI

InChI=1S/C16H21N3S2/c17-13-14-1-3-15(4-2-14)16(18-5-9-20-10-6-18)19-7-11-21-12-8-19/h1-4,16H,5-12H2