(3aR,5S,8aS)-4-methylidene-5-phenylsulfanyl-2,3,3a,5,6,8a-hexahydro-1H-azulene

Systemtic Name: (3aR,5S,8aS)-4-methylidene-5-phenylsulfanyl-2,3,3a,5,6,8a-hexahydro-1H-azulene Openeye Name: (3aR,5S,8aS)-4-methylene-5-phenylsulfanyl-2,3,3a,5,6,8a-hexahydro-1H-azulene CAS Name: (3aR,5S,8aS)-4-methylene-5-(phenylthio)-2,3,3a,5,6,8a-hexahydro-1H-azulene IUPAC Name: (3aR,5S,8aS)-4-methylidene-5-phenylsulfanyl-2,3,3a,5,6,8a-hexahydro-1H-azulene Traditional Name: (3aR,5S,8aS)-4-methylene-5-(phenylthio)-2,3,3a,5,6,8a-hexahydro-1H-azulene Formula: C17H20S MolecularWeight: 256.4057

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2CCCC2C=CCC1SC3=CC=CC=C3

Isomeric SMILES

C=C1[C@@H]2CCC[C@H]2C=CC[C@@H]1SC3=CC=CC=C3

InChI

InChI=1S/C17H20S/c1-13-16-11-5-7-14(16)8-6-12-17(13)18-15-9-3-2-4-10-15/h2-4,6,8-10,14,16-17H,1,5,7,11-12H2/t14-,16-,17-/m0/s1