3-(4-azanylbutyl)-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indole-5-carbonitrile

Systemtic Name: 3-(4-azanylbutyl)-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indole-5-carbonitrile Openeye Name: 3-(4-aminobutyl)-2-(2-methoxy-5-methylsulfanyl-phenyl)-1H-indole-5-carbonitrile CAS Name: 3-(4-aminobutyl)-2-[2-methoxy-5-(methylthio)phenyl]-1H-indole-5-carbonitrile IUPAC Name: 3-(4-aminobutyl)-2-(2-methoxy-5-methylsulfanylphenyl)-1H-indole-5-carbonitrile Traditional Name: 3-(4-aminobutyl)-2-[2-methoxy-5-(methylthio)phenyl]-1H-indole-5-carbonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)C#N)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)SC)C2=C(C3=C(N2)C=CC(=C3)C#N)CCCCN

InChI

InChI=1S/C21H23N3OS/c1-25-20-9-7-15(26-2)12-18(20)21-16(5-3-4-10-22)17-11-14(13-23)6-8-19(17)24-21/h6-9,11-12,24H,3-5,10,22H2,1-2H3