1-methyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carbonitrile

Systemtic Name: 1-methyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carbonitrile Openeye Name: 2-(benzylsulfanylmethyl)-1-methyl-indole-3-carbonitrile CAS Name: 1-methyl-2-[(phenylmethylthio)methyl]-3-indolecarbonitrile IUPAC Name: 2-(benzylsulfanylmethyl)-1-methylindole-3-carbonitrile Traditional Name: 2-[(benzylthio)methyl]-1-methyl-indole-3-carbonitrile Formula: C18H16N2S MolecularWeight: 292.39804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CSCC3=CC=CC=C3)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CSCC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H16N2S/c1-20-17-10-6-5-9-15(17)16(11-19)18(20)13-21-12-14-7-3-2-4-8-14/h2-10H,12-13H2,1H3