5-(3,4-dimethoxyphenyl)sulfanyl-1-methyl-indole-3-carbonitrile

Systemtic Name: 5-(3,4-dimethoxyphenyl)sulfanyl-1-methyl-indole-3-carbonitrile Openeye Name: 5-(3,4-dimethoxyphenyl)sulfanyl-1-methyl-indole-3-carbonitrile CAS Name: 5-[(3,4-dimethoxyphenyl)thio]-1-methyl-3-indolecarbonitrile IUPAC Name: 5-(3,4-dimethoxyphenyl)sulfanyl-1-methylindole-3-carbonitrile Traditional Name: 5-[(3,4-dimethoxyphenyl)thio]-1-methyl-indole-3-carbonitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)SC3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)SC3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C18H16N2O2S/c1-20-11-12(10-19)15-8-13(4-6-16(15)20)23-14-5-7-17(21-2)18(9-14)22-3/h4-9,11H,1-3H3