4-(2-deuterio-3-methylidene-1,4-dithiepan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(2-deuterio-3-methylidene-1,4-dithiepan-2-yl)benzenecarbonitrile Openeye Name: 4-(2-deuterio-3-methylene-1,4-dithiepan-2-yl)benzonitrile CAS Name: 4-(2-deuterio-3-methylene-1,4-dithiepan-2-yl)benzonitrile IUPAC Name: 4-(2-deuterio-3-methylidene-1,4-dithiepan-2-yl)benzonitrile Traditional Name: 4-(2-deuterio-3-methylene-1,4-dithiepan-2-yl)benzonitrile Formula: C13H13NS2 MolecularWeight: 248.385182

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(SCCCS1)C2=CC=C(C=C2)C#N

Isomeric SMILES

[2H]C1(C(=C)SCCCS1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H13NS2/c1-10-13(16-8-2-7-15-10)12-5-3-11(9-14)4-6-12/h3-6,13H,1-2,7-8H2/i13D