5-[(E)-but-2-enyl]-1,3-diethyl-2-isothiocyanato-benzene

Systemtic Name: 5-[(E)-but-2-enyl]-1,3-diethyl-2-isothiocyanato-benzene Openeye Name: 5-[(E)-but-2-enyl]-1,3-diethyl-2-isothiocyanato-benzene CAS Name: 5-[(E)-but-2-enyl]-1,3-diethyl-2-isothiocyanatobenzene IUPAC Name: 5-[(E)-but-2-enyl]-1,3-diethyl-2-isothiocyanatobenzene Traditional Name: 5-[(E)-but-2-enyl]-1,3-diethyl-2-isothiocyanato-benzene Formula: C15H19NS MolecularWeight: 245.38306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N=C=S)CC)CC=CC

Isomeric SMILES

CCC1=CC(=CC(=C1N=C=S)CC)C/C=C/C

InChI

InChI=1S/C15H19NS/c1-4-7-8-12-9-13(5-2)15(16-11-17)14(6-3)10-12/h4,7,9-10H,5-6,8H2,1-3H3/b7-4+