1,3,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole

Systemtic Name: 1,3,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole Openeye Name: 1,3,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole CAS Name: 1,3,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole IUPAC Name: 1,3,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole Traditional Name: 1,3,11,11a-tetrahydro-[1,4]thiazepin[4,3-a]indole Formula: C12H13NS MolecularWeight: 203.30332

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN2C(CC3=CC=CC=C32)CS1

Isomeric SMILES

C1C=CN2C(CC3=CC=CC=C32)CS1

InChI

InChI=1S/C12H13NS/c1-2-5-12-10(4-1)8-11-9-14-7-3-6-13(11)12/h1-6,11H,7-9H2