4-[4-(1-benzothiophen-2-ylmethylamino)-1,1-diethoxy-pentan-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(1-benzothiophen-2-ylmethylamino)-1,1-diethoxy-pentan-3-yl]benzenecarbonitrile Openeye Name: 4-[1-[1-(benzothiophen-2-ylmethylamino)ethyl]-3,3-diethoxy-propyl]benzonitrile CAS Name: 4-[4-(1-benzothiophen-2-ylmethylamino)-1,1-diethoxypentan-3-yl]benzonitrile IUPAC Name: 4-[4-(1-benzothiophen-2-ylmethylamino)-1,1-diethoxypentan-3-yl]benzonitrile Traditional Name: 4-[1-[1-(benzothiophen-2-ylmethylamino)ethyl]-3,3-diethoxy-propyl]benzonitrile Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C1=CC=C(C=C1)C#N)C(C)NCC2=CC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOC(CC(C1=CC=C(C=C1)C#N)C(C)NCC2=CC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C25H30N2O2S/c1-4-28-25(29-5-2)15-23(20-12-10-19(16-26)11-13-20)18(3)27-17-22-14-21-8-6-7-9-24(21)30-22/h6-14,18,23,25,27H,4-5,15,17H2,1-3H3