4-[azanyl-[4-(4-chlorophenyl)-6-pyridin-3-yl-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[azanyl-[4-(4-chlorophenyl)-6-pyridin-3-yl-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-[4-(4-chlorophenyl)-6-(3-pyridyl)benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[amino-[4-(4-chlorophenyl)-6-(3-pyridinyl)-1-benzothiophen-2-yl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[amino-[4-(4-chlorophenyl)-6-pyridin-3-yl-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[amino-[4-(4-chlorophenyl)-6-(3-pyridyl)benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C31H22ClN5S MolecularWeight: 532.05788

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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)C5=CN=CC=C5)C6=CC=C(C=C6)Cl)N

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(C=C(C=C4S3)C5=CN=CC=C5)C6=CC=C(C=C6)Cl)N

InChI

InChI=1S/C31H22ClN5S/c1-37-19-36-18-29(37)31(34,24-8-4-20(16-33)5-9-24)30-15-27-26(21-6-10-25(32)11-7-21)13-23(14-28(27)38-30)22-3-2-12-35-17-22/h2-15,17-19H,34H2,1H3