N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]naphthalene-1-carboxamide

Systemtic Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]naphthalene-1-carboxamide Openeye Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]naphthalene-1-carboxamide CAS Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-naphthalenecarboxamide IUPAC Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]naphthalene-1-carboxamide Traditional Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-naphthamide Formula: C21H18N2OS MolecularWeight: 346.44542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C21H18N2OS/c1-13-9-10-19-17(11-13)18(12-22)21(25-19)23-20(24)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13H,9-11H2,1H3,(H,23,24)/t13-/m0/s1