6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carbonitrile

Systemtic Name: 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carbonitrile Openeye Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carbonitrile CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile IUPAC Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carbonitrile Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(phenylthio)methyl]indole-3-carbonitrile Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C(=C2C(=C1CSC3=CC=CC=C3)C#N)CN(C)C)O)Br

Isomeric SMILES

CN1C2=CC(=C(C(=C2C(=C1CSC3=CC=CC=C3)C#N)CN(C)C)O)Br

InChI

InChI=1S/C20H20BrN3OS/c1-23(2)11-15-19-14(10-22)18(12-26-13-7-5-4-6-8-13)24(3)17(19)9-16(21)20(15)25/h4-9,25H,11-12H2,1-3H3