(3aS,4R)-1-methyl-4-methylsulfanyl-2,3,3a,4-tetrahydroindole-5,6-dicarbonitrile

Systemtic Name: (3aS,4R)-1-methyl-4-methylsulfanyl-2,3,3a,4-tetrahydroindole-5,6-dicarbonitrile Openeye Name: (3aS,4R)-1-methyl-4-methylsulfanyl-2,3,3a,4-tetrahydroindole-5,6-dicarbonitrile CAS Name: (3aS,4R)-1-methyl-4-(methylthio)-2,3,3a,4-tetrahydroindole-5,6-dicarbonitrile IUPAC Name: (3aS,4R)-1-methyl-4-methylsulfanyl-2,3,3a,4-tetrahydroindole-5,6-dicarbonitrile Traditional Name: (3aS,4R)-1-methyl-4-(methylthio)-2,3,3a,4-tetrahydroindole-5,6-dicarbonitrile Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2C1=CC(=C(C2SC)C#N)C#N

Isomeric SMILES

CN1CC[C@H]2C1=CC(=C([C@@H]2SC)C#N)C#N

InChI

InChI=1S/C12H13N3S/c1-15-4-3-9-11(15)5-8(6-13)10(7-14)12(9)16-2/h5,9,12H,3-4H2,1-2H3/t9-,12+/m0/s1