(E)-3-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-isopropyl-3,8-dimethyl-azulen-1-yl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(5-isopropyl-3,8-dimethyl-azulen-1-yl)-2-mesyl-acrylonitrile Formula: C19H21NO2S MolecularWeight: 327.44054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C=C(C#N)S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C19H21NO2S/c1-12(2)15-7-6-13(3)19-16(8-14(4)18(19)10-15)9-17(11-20)23(5,21)22/h6-10,12H,1-5H3/b17-9+