6-methyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine-8-carbonitrile

Systemtic Name: 6-methyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine-8-carbonitrile Openeye Name: 6-methyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine-8-carbonitrile CAS Name: 6-methyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine-8-carbonitrile IUPAC Name: 6-methyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine-8-carbonitrile Traditional Name: 6-methyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine-8-carbonitrile Formula: C12H14N2S MolecularWeight: 218.31796

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C#N)NCCCS1

Isomeric SMILES

CC1C2=C(C=CC(=C2)C#N)NCCCS1

InChI

InChI=1S/C12H14N2S/c1-9-11-7-10(8-13)3-4-12(11)14-5-2-6-15-9/h3-4,7,9,14H,2,5-6H2,1H3