4-[azanyl-[4-(1,3-benzodioxol-5-yl)-6-pyridin-3-yl-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[azanyl-[4-(1,3-benzodioxol-5-yl)-6-pyridin-3-yl-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[amino-[4-(1,3-benzodioxol-5-yl)-6-(3-pyridyl)benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[amino-[4-(1,3-benzodioxol-5-yl)-6-(3-pyridinyl)-1-benzothiophen-2-yl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[amino-[4-(1,3-benzodioxol-5-yl)-6-pyridin-3-yl-1-benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[amino-[4-(1,3-benzodioxol-5-yl)-6-(3-pyridyl)benzothiophen-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C32H23N5O2S MolecularWeight: 541.62232

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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=CC7=C(C=C6)OCO7)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=CC7=C(C=C6)OCO7)N

InChI

InChI=1S/C32H23N5O2S/c1-37-18-36-17-30(37)32(34,24-7-4-20(15-33)5-8-24)31-14-26-25(21-6-9-27-28(12-21)39-19-38-27)11-23(13-29(26)40-31)22-3-2-10-35-16-22/h2-14,16-18H,19,34H2,1H3