2-[azanyl-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-benzothiophene-6-carbonitrile

Systemtic Name: 2-[azanyl-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-benzothiophene-6-carbonitrile Openeye Name: 2-[amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)benzothiophene-6-carbonitrile CAS Name: 2-[amino-(4-cyanophenyl)-(3-methyl-4-imidazolyl)methyl]-4-(3-fluorophenyl)-1-benzothiophene-6-carbonitrile IUPAC Name: 2-[amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)-1-benzothiophene-6-carbonitrile Traditional Name: 2-[amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-fluorophenyl)benzothiophene-6-carbonitrile Formula: C27H18FN5S MolecularWeight: 463.528723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C(C=C4S3)C#N)C5=CC(=CC=C5)F)N

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C(C=C4S3)C#N)C5=CC(=CC=C5)F)N

InChI

InChI=1S/C27H18FN5S/c1-33-16-32-15-25(33)27(31,20-7-5-17(13-29)6-8-20)26-12-23-22(19-3-2-4-21(28)11-19)9-18(14-30)10-24(23)34-26/h2-12,15-16H,31H2,1H3