2-[[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methylidene]propanedinitrile

Systemtic Name: 2-[[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methylidene]propanedinitrile Openeye Name: 2-[[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]methylene]propanedinitrile CAS Name: 2-[[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methylidene]propanedinitrile IUPAC Name: 2-[[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]methylidene]propanedinitrile Traditional Name: 2-[[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]methylene]malononitrile Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC=C(C#N)C#N

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC=C(C#N)C#N

InChI

InChI=1S/C17H18N4S/c1-17(2,3)12-4-5-13-14(9-20)16(22-15(13)6-12)21-10-11(7-18)8-19/h10,12,21H,4-6H2,1-3H3/t12-/m0/s1