6-tert-butyl-2-[(E)-(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[(E)-(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 6-tert-butyl-2-[(E)-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 6-tert-butyl-2-[(E)-[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 6-tert-butyl-2-[(E)-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(E)-[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C25H28N4S MolecularWeight: 416.58162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C=NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)/C=N/C3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

InChI

InChI=1S/C25H28N4S/c1-16-11-18(17(2)29(16)20-7-6-10-27-15-20)14-28-24-22(13-26)21-9-8-19(25(3,4)5)12-23(21)30-24/h6-7,10-11,14-15,19H,8-9,12H2,1-5H3/b28-14+