5-methyl-3-sulfanyl-1,2,3,4-tetrahydroazepin-7-one

Systemtic Name: 5-methyl-3-sulfanyl-1,2,3,4-tetrahydroazepin-7-one Openeye Name: 5-methyl-3-sulfanyl-1,2,3,4-tetrahydroazepin-7-one CAS Name: 3-mercapto-5-methyl-1,2,3,4-tetrahydroazepin-7-one IUPAC Name: 5-methyl-3-sulfanyl-1,2,3,4-tetrahydroazepin-7-one Traditional Name: 3-mercapto-5-methyl-1,2,3,4-tetrahydroazepin-7-one Formula: C7H11NOS MolecularWeight: 157.23334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NCC(C1)S

Isomeric SMILES

CC1=CC(=O)NCC(C1)S

InChI

InChI=1S/C7H11NOS/c1-5-2-6(10)4-8-7(9)3-5/h3,6,10H,2,4H2,1H3,(H,8,9)