5-(thiophen-3-ylmethyl)pyrene-4-carbonitrile

Systemtic Name: 5-(thiophen-3-ylmethyl)pyrene-4-carbonitrile Openeye Name: 5-(3-thienylmethyl)pyrene-4-carbonitrile CAS Name: 5-(3-thiophenylmethyl)-4-pyrenecarbonitrile IUPAC Name: 5-(thiophen-3-ylmethyl)pyrene-4-carbonitrile Traditional Name: 5-(3-thenyl)pyrene-4-carbonitrile Formula: C22H13NS MolecularWeight: 323.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=C(C4=CC=CC(=C43)C=C2)C#N)CC5=CSC=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C(=C(C4=CC=CC(=C43)C=C2)C#N)CC5=CSC=C5

InChI

InChI=1S/C22H13NS/c23-12-20-18-6-2-4-16-8-7-15-3-1-5-17(21(15)22(16)18)19(20)11-14-9-10-24-13-14/h1-10,13H,11H2