3-[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methylamino]butyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methylamino]butyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[(5-cyano-6-methylsulfanyl-2-pyridyl)methylamino]butyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[[5-cyano-6-(methylthio)-2-pyridinyl]methylamino]butyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-[(5-cyano-6-methylsulfanylpyridin-2-yl)methylamino]butyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[[5-cyano-6-(methylthio)-2-pyridyl]methylamino]butyl]-1H-indole-5-carbonitrile Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CNCCCCC2=CNC3=C2C=C(C=C3)C#N)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CNCCCCC2=CNC3=C2C=C(C=C3)C#N)C#N

InChI

InChI=1S/C21H21N5S/c1-27-21-16(12-23)6-7-18(26-21)14-24-9-3-2-4-17-13-25-20-8-5-15(11-22)10-19(17)20/h5-8,10,13,24-25H,2-4,9,14H2,1H3