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

Systemtic Name: 2-[azanyl-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1-benzothiophene-6-carbonitrile Openeye Name: 2-[amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-benzothiophene-6-carbonitrile CAS Name: 2-[amino-(4-cyanophenyl)-(3-methyl-4-imidazolyl)methyl]-4-phenyl-1-benzothiophene-6-carbonitrile IUPAC Name: 2-[amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-1-benzothiophene-6-carbonitrile Traditional Name: 2-[amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-4-phenyl-benzothiophene-6-carbonitrile Formula: C27H19N5S MolecularWeight: 445.53826

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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)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)N

InChI

InChI=1S/C27H19N5S/c1-32-17-31-16-25(32)27(30,21-9-7-18(14-28)8-10-21)26-13-23-22(20-5-3-2-4-6-20)11-19(15-29)12-24(23)33-26/h2-13,16-17H,30H2,1H3